From 7745be7d31edc22ebe2d07d4de3661752f2166a7 Mon Sep 17 00:00:00 2001 From: Matthew Newville Date: Sat, 20 Jul 2024 15:47:12 -0500 Subject: [PATCH 01/13] add columnfile reader, codes to guess beamline from datafile text --- src/pynxxas/io/columnfile.py | 418 +++++++++++++++++++++++++++ src/pynxxas/io/utils.py | 142 +++++++++ src/pynxxas/io/xas_beamlines.py | 496 ++++++++++++++++++++++++++++++++ 3 files changed, 1056 insertions(+) create mode 100644 src/pynxxas/io/columnfile.py create mode 100644 src/pynxxas/io/utils.py create mode 100644 src/pynxxas/io/xas_beamlines.py diff --git a/src/pynxxas/io/columnfile.py b/src/pynxxas/io/columnfile.py new file mode 100644 index 0000000..45a05fb --- /dev/null +++ b/src/pynxxas/io/columnfile.py @@ -0,0 +1,418 @@ +#!/usr/bin/env python +""" + Larch column file reader: read_ascii +""" +import os +import sys +import time +import string +from types import SimpleNamespace +import numpy as np + +from .xafs_beamlines import guess_beamline +from .utils import read_textfile, fix_varname + +def colname(txt): + return fix_varname(txt.strip().lower()).replace(".", "_") + +def getfloats(txt, sepchars=(",", "|", "\t"), invalid=None): + """convert a line of numbers into a list of floats, + as for reading a file with columnar numerical data. + + Arguments + --------- + txt (string) : line of text to parse + sepchars (list or tuple of strings): accepted + separators of values (in addition to " ") + default is (",", "|", "\t") + invalid (object): value to use for words that + cannot be converted to float [None] + Returns + ------- + list with each entry either a float or None + + """ + tclean = txt.replace("\n"," ").replace("\r"," ") + for sep in sepchars: + tclean = tclean.replace(sep, " ") + words = [w.strip() for w in tclean.split()] + for i, w in enumerate(words): + try: + words[i] = float(w) + except ValueError: + words[i] = invalid + return words + + +def read_column_file(filename, labels=None, simple_labels=False, + sort=False, sort_column=0): + """read a plaintext column file, returning a group + containing the data extracted from the file. + + Arguments: + filename (str): name of file to read + labels (ist or None) : list of labels to use for array labels [None] + simple_labels (bool) : whether to force simple column labels (note 1) [False] + sort (bool) : whether to sort row data (note 2) [False] + sort_column (int) : column to use for sorting (note 2) [0] + + Returns: + namespace + + A data group containing data read from file, with several attributes: + + | filename : text name of the file. + | array_labels : array labels, names of 1-D arrays. + | data : 2-dimensional data (ncolumns, nrows) with all data. + | header : array of text lines of the header. + | footer : array of text lines of the footer (text after the numerical data) + | attrs : group of attributes parsed from header lines. + + Notes: + 1. array labels. If `labels` is `None` (the default), column labels + and names of 1d arrays will be guessed from the file header. This often + means parsing the final header line, but tagged column files from several XAFS + beamlines will be tried and used if matching. Column labels may be like 'col1', + 'col2', etc if suitable column labels cannot be guessed. + These labels will be used as names for the 1-d arrays from each column. + If `simple_labels` is `True`, the names 'col1', 'col2' etc will be used + regardless of the column labels found in the file. + + 2. sorting. Data can be sorted to be in increasing order of any column, + by giving the column index (starting from 0). + + 3. header parsing. If header lines are of the forms of + + | KEY : VAL + | KEY = VAL + + these will be parsed into a 'attrs' dictionary in the returned group. + + Examples: + + >>> feo_data = read_column_file("feo_rt1.dat") + + """ + if not Path(filename).exists(): + raise OSError(f"File not found: '{filename}'") + if os.stat(filename).st_size > MAX_FILESIZE: + raise OSError(f"File '{filename}' too big for read_column_file()") + + text = read_textfile(filename) + lines = text.split("\n") + + ncol = None + data, footers, headers = [], [], [] + + lines.reverse() + section = "FOOTER" + + for line in lines: + line = line.strip() + if len(line) < 1: + continue + # look for section transitions (going from bottom to top) + if section == "FOOTER" and not None in getfloats(line): + section = "DATA" + elif section == "DATA" and None in getfloats(line): + section = "HEADER" + + # act of current section: + if section == "FOOTER": + footers.append(line) + elif section == "HEADER": + headers.append(line) + elif section == "DATA": + rowdat = getflooats(line) + if ncol is None: + ncol = len(rowdat) + elif ncol > len(rowdat): + rowdat.extend([np.nan]*(ncol-len(rowdat))) + elif ncol < len(rowdat): + for i in data: + i.extend([np.nan]*(len(rowdat)-ncol)) + ncol = len(rowdat) + data.append(rowdat) + + # reverse header, footer, data, convert to arrays + footers.reverse() + headers.reverse() + data.reverse() + data = np.array(data).transpose() + + # try to parse attributes from header text + header_attrs = {} + for hline in headers: + hline = hline.strip().replace("\t", " ") + if len(hline) < 1: continue + if hline[0] in COMMENTCHARS: + hline = hline[1:].strip() + keywds = [] + if ":" in hline: # keywords in "x: 22" + words = hline.split(":", 1) + keywds = words[0].split() + elif "=" in hline: # keywords in "x = 22" + words = hline.split("=", 1) + keywds = words[0].split() + if len(keywds) == 1: + key = colname(keywds[0]) + if key.startswith("_"): + key = key[1:] + if len(words) > 1: + header_attrs[key] = words[1].strip() + + fpath = Path(filename) + attrs = {"filename": filename} + group = SimpleNamespace(name=filename, filename=fpath.name, + header=headers, data=[], array_labels=[]) + + if len(data) == 0: + return group + + if sort and sort_column >= 0 and sort_column < ncol: + data = data[:, np.argsort(data[sort_column])] + + group.data = data + + if len(footers) > 0: + group.footer = footers + + group.attrs = SimpleNamespace(name=f"header attributes from '{filename}'") + for key, val in header_attrs.items(): + setattr(group.attrs, key, val) + + if isinstance(labels, str): + for bchar in ",#@%|:*": + labels = labels.replace(bchar, "") + labels = labels.split() + if labels is None and not simple_labels: + bldat = guess_beamline(headers)(headers) + labels = bldat.get_array_labels() + + if getattr(bldat, "energy_units", "eV") != "eV": + group.energy_units = bldat.energy_units + if getattr(bldat, "energy_column", 1) != 1: + group.energy_column = bldat.energy_column + if getattr(bldat, "mono_dspace", -1) > 0: + group.mono_dspace = bldat.mono_dspace + + set_array_labels(group, labels=labels, simple_labels=simple_labels) + return group + +def set_array_labels(group, labels=None, simple_labels=False, + save_oldarrays=False): + + """set array names for a group from its 2D `data` array. + + Arguments + ---------- + labels (list of strings or None) array of labels to use + simple_labels (bool): flag to use ("col1", "col2", ...) [False] + save_oldarrays (bool): flag to save old array names [False] + + + Returns + ------- + group with newly named attributes of 1D array data, and + an updated `array_labels` giving the mapping of `data` + columns to attribute names. + + Notes + ------ + 1. if `simple_labels=True` it will overwrite any values in `labels` + + 3. Array labels must be valid python names. If not enough labels + are specified, or if name clashes arise, the array names may be + modified, often by appending an underscore and letter or by using + ("col1", "col2", ...) etc. + + 4. When `save_oldarrays` is `False` (the default), arrays named in the + current `group.array_labels` will be erased. Other arrays and + attributes will not be changed. + + """ + write = sys.stdout.write + if not hasattr(group, "data"): + write("cannot set array labels for group "%s": no `data`\n" % repr(group)) + return + + # clear old arrays, if desired + oldlabels = getattr(group, "array_labels", None) + if oldlabels is not None and not save_oldarrays: + for attr in oldlabels: + if hasattr(group, attr): + delattr(group, attr) + + ncols, nrow = group.data.shape + + #### + # step 1: determine user-defined labels from input options + # generating array `tlabels` for test labels + # + # generate simple column labels, used as backup + clabels = ["col%d" % (i+1) for i in range(ncols)] + + if isinstance(labels, str): + labels = labels.split() + + + tlabels = labels + # if simple column names requested or above failed, use simple column names + if simple_labels or tlabels is None: + tlabels = clabels + + #### + # step 2: check input and correct problems + # 2.a: check for not enough and too many labels + if len(tlabels) < ncols: + for i in range(len(tlabels), ncols): + tlabels.append("col%i" % (i+1)) + elif len(tlabels) > ncols: + tlabels = tlabels[:ncols] + + # 2.b: check for names that clash with group attributes + # or that are repeated, append letter. + reserved_names = ("data", "array_labels", "filename", + "attrs", "header", "footer") + extras = string.ascii_lowercase + labels = [] + for i in range(ncols): + lname = tlabels[i] + if lname in reserved_names or lname in labels: + lname = lname + "_a" + j = 0 + while lname in labels: + j += 1 + if j == len(extras): + break + lname = "%s_%s" % (tlabels[i], extras[j]) + if lname in labels: + lname = clabels[i] + labels.append(lname) + + #### + # step 3: assign attribue names, set "array_labels" + for i, name in enumerate(labels): + setattr(group, name, group.data[i]) + group.array_labels = labels + return group + + +def write_ascii(filename, *args, commentchar="#", label=None, header=None): + """ + write a list of items to an ASCII column file + + Arguments: + args (list of groups): list of groups to write. + commentchar (str) : character for comment ("#") + label (str on None): array label line (autogenerated) + header (list of strings): array of strings for header + + Returns: + None + + Examples: + >>> write_ascii("myfile", group.energy, group.norm, header=["comment1", "comment2"] + + """ + ARRAY_MINLEN = 2 + write = sys.stdout.write + com = commentchar + label = label + if header is None: + header = [] + + arrays = [] + arraylen = None + + for arg in args: + if isinstance(arg, np.ndarray): + if len(arg) > ARRAY_MINLEN: + if arraylen is None: + arraylen = len(arg) + else: + arraylen = min(arraylen, len(arg)) + arrays.append(arg) + else: + header.append(repr(arg)) + + else: + header.append(repr(arg)) + + if arraylen is None: + msg = f"write_ascii() need arrays with {ARRAY_MINLEN:d} or more elements." + raise ValueError(msg) + + buff = [] + if header is None: + buff = [f"{com} empty header"] + for s in header: + buff.append(f"{com} {s}") + buff.append(f"{com}--------------------------------") + if label is None: + label = (" "*13).join([f"col{i+1:d}" for i in range(len(arrays))]) + buff.append(f"{com} {label}") + + arrays = np.array(arrays) + for i in range(arraylen): + w = [gformat(val[i], length=14) for val in arrays] + buff.append(" ".join(w)) + buff.append("") + + with open(filename, "w", encoding=sys.getdefaultencoding()) as fout: + fout.write("\n".join(buff)) + sys.stdout.write("wrote to file "%s"\n" % filename) + + +def read_fdmnes(filename, **kwargs): + """read [FDMNES](http://fdmnes.neel.cnrs.fr/) ascii files""" + group = read_ascii(filename, **kwargs) + group.header_dict = dict(filetype="FDMNES", energy_units="eV") + for headline in group.header: + if ("E_edge" in headline): + if headline.startswith("#"): + headline = headline[1:] + vals = [float(v) for v in headline.split(" = ")[0].split(" ") if v] + vals_names = headline.split(" = ")[1].split(", ") + group.header_dict.update(dict(zip(vals_names, vals))) + group.name = f"FDMNES file {filename}" + group.energy += group.header_dict["E_edge"] + #fix _arrlabel -> arrlabel + for ilab, lab in enumerate(group.array_labels): + if lab.startswith("_"): + fixlab = lab[1:] + group.array_labels[ilab] = fixlab + delattr(group, lab) + setattr(group, fixlab, group.data[ilab]) + return group + +def guess_filereader(path, return_text=False): + """guess function name to use to read a data file based on the file header + + Arguments + --------- + path (str) : file path to be read + + Returns + ------- + name of function (as a string) to use to read file + if return_text: text of the read file + """ + text = read_textfile(path) + lines = text.split("\n") + line1 = lines[0].lower() + reader = "read_ascii" + if "epics scan" in line1: + reader = "read_gsescan" + if "xdi" in line1: + reader = "read_xdi" + if "epics stepscan file" in line1 : + reader = "read_gsexdi" + if ("#s" in line1) or ("#f" in line1): + reader = "read_specfile" + if "fdmnes" in line1: + reader = "read_fdmnes" + if return_text: + return reader, text + else: + return reader diff --git a/src/pynxxas/io/utils.py b/src/pynxxas/io/utils.py new file mode 100644 index 0000000..45aceaa --- /dev/null +++ b/src/pynxxas/io/utils.py @@ -0,0 +1,142 @@ +import io +from math import log10 + +from charset_normalizer import from_bytes + + +MAX_FILESIZE = 100*1024*1024 # 100 Mb limit +COMMENTCHARS = '#;%*!$' + +VALID_CHARS1 = 'abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ_' + +BAD_FILECHARS = ';~,`!%$@$&^?*#:"/|\'\\\t\r\n (){}[]<>' +GOOD_FILECHARS = '_'*len(BAD_FILECHARS) + +BAD_VARSCHARS = BAD_FILECHARS + '=+-.' +GOOD_VARSCHARS = '_'*len(BAD_VARSCHARS) + +TRANS_FILE = str.maketrans(BAD_FILECHARS, GOOD_FILECHARS) +TRANS_VARS = str.maketrans(BAD_VARSCHARS, GOOD_VARSCHARS) + + +def fix_varname(s): + """fix string to be a a good Python variable/attribute name.""" + t = str(s).translate(TRANS_VARS) + + if len(t) < 1: + t = '_var_' + if t[0] not in VALID_CHARS1: + t = '_%s' % t + while t.endswith('_'): + t = t[:-1] + return t + +def read_textfile(filename, size=None): + """read text from a file as string + + Argument + -------- + filename (str or file): name of file to read or file-like object + size (int or None): number of bytes to read + + Returns + ------- + text of file as string. + + Notes + ------ + 1. the encoding is detected with charset_normalizer.from_bytes + which is then used to decode bytes read from file. + 2. line endings are normalized to be '\n', so that + splitting on '\n' will give a list of lines. + 3. if filename is given, it can be a gzip-compressed file + """ + text = '' + + def decode(bytedata): + return str(from_bytes(bytedata).best()) + + if isinstance(filename, io.IOBase): + text = filename.read(size) + if filename.mode == 'rb': + text = decode(text) + else: + with open(filename, 'rb') as fh: + text = decode(fh.read(size)) + return text.replace('\r\n', '\n').replace('\r', '\n') + + + +def gformat(val, length=11): + """Format a number with '%g'-like format. + + Except that: + a) the length of the output string will be of the requested length. + b) positive numbers will have a leading blank. + b) the precision will be as high as possible. + c) trailing zeros will not be trimmed. + + The precision will typically be ``length-7``. + + Parameters + ---------- + val : float + Value to be formatted. + length : int, optional + Length of output string (default is 11). + + Returns + ------- + str + String of specified length. + + Notes + ------ + Positive values will have leading blank. + + """ + if val is None or isinstance(val, bool): + return f"{repr(val):>{length}s}" + try: + expon = int(log10(abs(val))) + except (OverflowError, ValueError): + expon = 0 + length = max(length, 7) + form = "e" + prec = length - 7 + ab_expon = abs(expon) + if ab_expon > 99: + prec -= 1 + elif ((expon >= 0 and expon < (prec+4)) + or (expon <= -1 and -expon < (prec-2)) + or (expon <= -1 and prec < 5 and abs(expon)<3 )): + form = "f" + prec += 4 + if expon > 0: + prec -= expon + + def fmt(val, length, prec, form): + out = f"{val:{length}.{prec}{form}}" + if form == "e" and "e+0" in out or "e-0" in out: + out = f"{val:{length+1}.{prec+1}{form}}" + out = out.replace("e-0", "e-").replace("e+0", "e+") + return out + + prec += 1 + out = "_"*(length+2) + while len(out) > length: + prec -= 1 + out = fmt(val, length, prec, form) + if "_" in out: + out = fmt(val, length, prec, form) + while len(out) < length: + prec += 1 + out = fmt(val, length, prec, form) + return out + +def test_gformat(): + for x in range(-10, 12): + for a in [0.2124312134, 0.54364253, 0.812312, .96341312124, 1.028456789]: + v = a*(10**(x)) + for len in (14, 13, 12, 11, 10, 9, 8): + print(gformat(v, length=len) ) diff --git a/src/pynxxas/io/xas_beamlines.py b/src/pynxxas/io/xas_beamlines.py new file mode 100644 index 0000000..b51a8b6 --- /dev/null +++ b/src/pynxxas/io/xas_beamlines.py @@ -0,0 +1,496 @@ +#!/usr/bin/env python +""" +classes for handling XAFS data in plaintext column files for various beamlines. + + +Basically, a class for XAFS Beamline data. This defines + a) how to name the arrays for columns in the data file + b) which column is most likely to hold the energy (or energy-definig) array + c) what the energy units are most likely to be. + +Specific beamline data should define a class that derives from GenericBeamlineData +and has the following attributes/methods: + + + energy_column : int index for default energy column + + energy_units : str ('eV', 'keV', 'deg') for default expected energy units + + beamline_matches(): method to decide whether data may be from the beamline + should give more false positives than false negatives. + + get_array_labels(): method to guess array labels. + +The XXX__BeamlineData class will be given *only* the headerlines (a list of lines) +from the text file. + +By default, that header will defined all the text before the data table. + +""" + +import numpy as np +from .utils import fix_varname + +def guess_beamline(header=None): + """ + guess beamline data class used to parse headers from header lines + """ + if header is None: + header = [''] + if len(header) > 1: + line1 = header[0].lower() + full = '\n'.join(header).lower() + + if line1.startswith('#'): + line1 = line1.replace('#', '') + + if 'xdi/1' in line1 and 'epics stepscan' in line1: + return APSGSE_BeamlineData + elif line1.startswith('; epics scan 1 dim'): + return APSGSE_BeamlineData + elif 'labview control panel' in line1: + return APSXSD_BeamlineData + elif 'mrcat_xafs' in line1: + return APSMRCAT_BeamlineData + elif line1.startswith('xdac'): + return NSLSXDAC_BeamlineData + elif 'ssrl' in line1 and 'exafs data collector' in line1: + return SSRL_BeamlineData + elif 'cls data acquisition' in line1: + return CLSHXMA_BeamlineData + elif 'kek-pf' in line1: + return KEKPF_BeamlineData + elif 'exafsscan' in full and 'exafs_region' in full: + return APS12BM_BeamlineData + return GenericBeamlineData + + +class GenericBeamlineData: + """ + Generic beamline data file - use as last resort + + This parses the last header line for labels: + First, it remove any leading '#', '#C', '#L', and 'C' as if + collected by Spec or many other collection systems. + + Next, it removes bad characters ',#@%&' and quotes. + Then, it splits on whitespace and fixes names to make + sure they are valid variable names + """ + energy_column = 1 + energy_units = 'eV' + mono_dspace = -1 + name = 'generic' + + def __init__(self, headerlines=None): + if headerlines is None: + headerlines = [''] + self.headerlines = list(headerlines) + + def beamline_matches(self): + return len(self.headerlines) > 1 + + def get_array_labels(self, ncolumns=None): + lastline = "# " + if len(self.headerlines) >= 1: + lastline = self.headerlines[-1].strip() + for cchars in ('#L', '#C', '#', 'C'): + if lastline.startswith(cchars): + lastline = lastline[len(cchars):] + for badchar in '\t,#@%&"\'': + lastline = lastline.replace(badchar, ' ') + return self._set_labels(lastline.split(), ncolumns=ncolumns) + + def _set_labels(self, inlabels, ncolumns=None): + """ + final parsing, cleaning, ensuring number of columns is satisfied + """ + labels = [] + for i, word in enumerate(inlabels): + word = word.strip().lower() + if len(word) > 0: + word = fix_varname(word) + else: + word = 'col%d' % (i+1) + labels.append(word) + for i, lab in enumerate(labels): + if lab in labels[:i]: + labels[i] = lab + '_col%d' % (i+1) + + if ncolumns is not None and len(labels) < ncolumns: + for i in range(len(labels), ncolumns): + labels.append('col%d' % (i+1)) + self.labels = labels + return labels + + +class APSGSE_BeamlineData(GenericBeamlineData): + """ + GSECARS EpicsScan data, APS 13ID, some NSLS-II XFM 4BM data + """ + name = 'GSE EpicsScan' + energy_column = 1 + + def __init__(self, headerlines=None): + GenericBeamlineData.__init__(self, headerlines=headerlines) + + def beamline_matches(self): + line1 = '' + if len(self.headerlines) > 0: + line1 = self.headerlines[0].lower() + return (('xdi/1' in line1 and 'epics stepscan' in line1) or + line1.startswith('; epics scan 1 dim')) + + + def get_array_labels(self, ncolumns=None): + if not self.beamline_matches(): + raise ValueError('header is not from beamline %s' % self.name) + + line1 = self.headerlines[0].lower() + oldstyle = line1.startswith('; epics scan 1 dim') + + labels = [] + if oldstyle: + mode = 'search' + for line in self.headerlines: + line = line[1:].strip() + if mode == 'found legend': + if len(line) < 2 or '-->' not in line: + mode = 'legend done' + else: + pref, suff = line.split('-->', 1) + pid, arg = pref.split('=') + arg = arg.replace('{', '').replace('}','') + labels.append(arg.strip()) + elif mode == 'search' and 'column labels:' in line: + mode = 'found legend' + + + else: + for line in self.headerlines: + if line.startswith('#'): + line = line[1:].strip() + else: + break + if line.lower().startswith('column.') and '||' in line: + label, pvname = line.split('||', 1) + label, entry = label.split(':') + entry = entry.strip() + if ' ' in entry: + words = [a.strip() for a in entry.split()] + if len(words) > 1: + entry, units = words[0], words[1] + if 'energy' in entry.lower() and len(units) > 1: + self.energy_units = units + labels.append(entry) + return self._set_labels(labels, ncolumns=ncolumns) + + +class APS12BM_BeamlineData(GenericBeamlineData): + """ + APS sector 12BM data + """ + name = 'APS 12BM' + energy_column = 1 + + def __init__(self, headerlines=None): + GenericBeamlineData.__init__(self, headerlines=headerlines) + + def beamline_matches(self): + """ must see 'exafs_region' """ + match = False + if len(self.headerlines) > 0: + for line in self.headerlines: + if not line.startswith('#'): + match = False + break + if 'exafs_region' in line: + match = True + return match + + def get_array_labels(self, ncolumns=None): + if not self.beamline_matches(): + raise ValueError('header is not from beamline %s' % self.name) + + labelline = self.headerlines[-1].replace('#C', ' ').strip() + words = labelline.split() + + labels = [] + for word in words: + if '_' in word: + pref, suff = word.split('_') + isint = False + try: + ipref = int(pref) + isint = True + except ValueError: + pass + if isint: labels.append(suff) + elif len(labels) == 1: + word = word.replace('(', '').replace(')', '') + self.energy_units = word + return self._set_labels(labels, ncolumns=ncolumns) + + +class APSMRCAT_BeamlineData(GenericBeamlineData): + """ + APS sector 10ID or 10BM data + """ + name = 'APS MRCAT' + energy_column = 1 + + def __init__(self, headerlines=None): + GenericBeamlineData.__init__(self, headerlines=headerlines) + + def beamline_matches(self): + line1 = '' + if len(self.headerlines) > 0: + line1 = self.headerlines[0] + return ('MRCAT_XAFS' in line1) + + def get_array_labels(self, ncolumns=None): + if not self.beamline_matches(): + raise ValueError('header is not from beamline %s' % self.name) + + labels = [] + mode = 'search' + for line in self.headerlines: + if mode == 'found': + labels = line.strip().split() + break + if mode == 'search' and '-------' in line: + mode = 'found' + + return self._set_labels(labels, ncolumns=ncolumns) + + +class APSXSD_BeamlineData(GenericBeamlineData): + """ + APS sector 20ID, 20BM, 9BM + """ + name = 'APS XSD' + energy_column = 1 + + def __init__(self, headerlines=None): + GenericBeamlineData.__init__(self, headerlines=headerlines) + + def beamline_matches(self): + line1 = '' + if len(self.headerlines) > 0: + line1 = self.headerlines[0] + return ('LabVIEW Control Panel' in line1) + + def get_array_labels(self, ncolumns=None): + if not self.beamline_matches(): + raise ValueError('header is not from beamline %s' % self.name) + + # here we try two different ways for "older" and "newer" 20BM/9BM fles + labels = [] + mode = 'search' + tmplabels = {} + maxkey = -1 + for line in self.headerlines: + line = line[1:].strip() + if mode == 'search' and 'is a readable list of column' in line: + mode = 'found legend' + elif mode == 'found legend': + if len(line) < 2: + break + if ')' in line: + if line.startswith('#'): + line = line[1:].strip() + + pars = [] + for k in range(len(line)): + if line[k] == ')': + pars.append(k) + + pars.append(len(line)) + for k in range(len(pars)-1): + j = pars[k] + i = max(0, j-2) + key = line[i:j] + z = pars[k+1] + if z < len(line)-3: + for o in range(1, 4): + try: + _ = int(line[z-o]) + except: + break + z = z-o+1 + val = line[j+1:z].strip() + if val.endswith('*'): + val = val[:-1].strip() + + try: + key = int(key) + maxkey = max(maxkey, key) + except: + break + tmplabels[key] = val + + + if len(tmplabels) > 1: + maxkey = max(maxkey, len(tmplabels)) + labels = ['']* (maxkey+5) + for k, v in tmplabels.items(): + labels[k] = v + labels = [o for o in labels if len(o) > 0] + + # older version: no explicit legend, parse last header line, uses '*' + if len(labels) == 0: + labelline = self.headerlines[-1].replace('#', '') + words = labelline.split('*') + if len(words) > 1: + lastword = words.pop() + words.extend(lastword.split()) + labels = words + + return self._set_labels(labels, ncolumns=ncolumns) + + +class NSLSXDAC_BeamlineData(GenericBeamlineData): + """ + NSLS (I) XDAC collected data + """ + name = 'NSLS XDAC' + energy_column = 1 + + def __init__(self, headerlines=None): + GenericBeamlineData.__init__(self, headerlines=headerlines) + + def beamline_matches(self): + line1 = '' + if len(self.headerlines) > 0: + line1 = self.headerlines[0].replace('#', '').strip() + return line1.startswith('XDAC') + + def get_array_labels(self, ncolumns=None): + if not self.beamline_matches(): + raise ValueError('header is not from beamline %s' % self.name) + + labels = [] + mode = 'search' + for line in self.headerlines: + if mode == 'found': + labels = line.strip().split() + break + if mode == 'search' and '-------' in line: + mode = 'found' + + return self._set_labels(labels, ncolumns=ncolumns) + + +class SSRL_BeamlineData(GenericBeamlineData): + """ + SSRL EXAFS Data Collect beamline data + """ + name = 'SSRL' + energy_column = 1 + + def __init__(self, headerlines=None): + GenericBeamlineData.__init__(self, headerlines=headerlines) + + def beamline_matches(self): + line1 = '' + if len(self.headerlines) > 0: + line1 = self.headerlines[0] + return ('ssrl' in line1.lower() and 'exafs data collector' in line1.lower()) + + def get_array_labels(self, ncolumns=None): + if not self.beamline_matches(): + raise ValueError('header is not from beamline %s' % self.name) + + labels = [] + mode = 'search' + for line in self.headerlines: + line = line.strip() + if mode == 'found legend': + if len(line) < 2: + mode = 'legend done' + break + else: + labels.append(line) + if 'energy' in line.lower(): + self.energy_column = len(labels) + elif mode == 'search' and line == 'Data:': + mode = 'found legend' + + return self._set_labels(labels, ncolumns=ncolumns) + + +class CLSHXMA_BeamlineData(GenericBeamlineData): + """ + CLS HXMA beamline data + """ + name = 'CLS HXMA' + energy_column = 1 + + def __init__(self, headerlines=None): + GenericBeamlineData.__init__(self, headerlines=headerlines) + + def beamline_matches(self): + line1 = '' + if len(self.headerlines) > 0: + line1 = self.headerlines[0] + return ('cls data acquisition' in line1.lower()) + + def get_array_labels(self, ncolumns=None): + if not self.beamline_matches(): + raise ValueError('header is not from beamline %s' % self.name) + + labels = [] + for line in self.headerlines: + line = line.strip() + if line.startswith('#(1)') and '$(' in line: + line = line.replace('#(1)', '') + for bchar in '"#$()\t': + line = line.replace(bchar, ' ') + labels = line.split() + + labels = [fix_varname(word.strip().lower()) for word in labels] + for i, label in enumerate(labels): + if 'energy' in label: + self.energy_column = i+1 + return self._set_labels(labels, ncolumns=ncolumns) + + +class KEKPF_BeamlineData(GenericBeamlineData): + """ + KEK-PF (Photon Factory Data), as from BL12C + """ + name = 'KEK PF' + energy_column = 2 + energy_units = 'deg' + + def __init__(self, headerlines=None): + GenericBeamlineData.__init__(self, headerlines=headerlines) + + def beamline_matches(self): + line1 = '' + if len(self.headerlines) > 0: + line1 = self.headerlines[0].replace('#', '').strip() + return 'KEK-PF' in line1 + + def get_array_labels(self, ncolumns=None): + if not self.beamline_matches(): + raise ValueError('header is not from beamline %s' % self.name) + + for line in self.headerlines: + line = line.lower().replace('#', ' ').strip() + if 'mono :' in line: + words = ['_'] + line.replace('=', ' ').split() + for i, w in enumerate(words): + if i == 0: continue + if words[i-1] == 'd': + try: + self.mono_dspace = float(w) + except ValueError: + pass + lastline = self.headerlines[-1] + ncols = len(lastline.strip().split()) + if ncolumns is not None: + ncols = max(ncols, ncolumns) + + labels= ['angle_drive', 'angle_read', 'time'] + return self._set_labels(labels, ncolumns=ncols) From 8ea2394bc3a687297015e5b73e3aefc1e9b1fc08 Mon Sep 17 00:00:00 2001 From: Matthew Newville Date: Sat, 20 Jul 2024 15:48:18 -0500 Subject: [PATCH 02/13] import columnfile reader into io module --- src/pynxxas/io/__init__.py | 3 +++ 1 file changed, 3 insertions(+) diff --git a/src/pynxxas/io/__init__.py b/src/pynxxas/io/__init__.py index 0a4300e..0efa822 100644 --- a/src/pynxxas/io/__init__.py +++ b/src/pynxxas/io/__init__.py @@ -6,6 +6,9 @@ import pydantic from .url_utils import UrlType +from .utils import read_textfile, gformat, fix_varname +from .columnfile import read_columnfile +from .xas_beamlines import guess_beamline from . import xdi from . import nexus from .. import models From 219d55562aeb5c8c9dbb82792213c1f65de0ab87 Mon Sep 17 00:00:00 2001 From: Matthew Newville Date: Sat, 20 Jul 2024 16:10:44 -0500 Subject: [PATCH 03/13] fixes for columnfile --- src/pynxxas/io/columnfile.py | 21 ++++++++++++--------- 1 file changed, 12 insertions(+), 9 deletions(-) diff --git a/src/pynxxas/io/columnfile.py b/src/pynxxas/io/columnfile.py index 45a05fb..1642ed2 100644 --- a/src/pynxxas/io/columnfile.py +++ b/src/pynxxas/io/columnfile.py @@ -6,11 +6,14 @@ import sys import time import string +from pathlib import Path from types import SimpleNamespace + import numpy as np -from .xafs_beamlines import guess_beamline -from .utils import read_textfile, fix_varname +from .xas_beamlines import guess_beamline +from .utils import (read_textfile, fix_varname, + MAX_FILESIZE, COMMENTCHARS) def colname(txt): return fix_varname(txt.strip().lower()).replace(".", "_") @@ -44,7 +47,7 @@ def getfloats(txt, sepchars=(",", "|", "\t"), invalid=None): return words -def read_column_file(filename, labels=None, simple_labels=False, +def read_columnfile(filename, labels=None, simple_labels=False, sort=False, sort_column=0): """read a plaintext column file, returning a group containing the data extracted from the file. @@ -123,7 +126,7 @@ def read_column_file(filename, labels=None, simple_labels=False, elif section == "HEADER": headers.append(line) elif section == "DATA": - rowdat = getflooats(line) + rowdat = getfloats(line) if ncol is None: ncol = len(rowdat) elif ncol > len(rowdat): @@ -233,7 +236,7 @@ def set_array_labels(group, labels=None, simple_labels=False, """ write = sys.stdout.write if not hasattr(group, "data"): - write("cannot set array labels for group "%s": no `data`\n" % repr(group)) + write(f"cannot set array labels for group {group}: no `data`\n") return # clear old arrays, if desired @@ -250,7 +253,7 @@ def set_array_labels(group, labels=None, simple_labels=False, # generating array `tlabels` for test labels # # generate simple column labels, used as backup - clabels = ["col%d" % (i+1) for i in range(ncols)] + clabels = [f"col{i+1:d}" for i in range(ncols)] if isinstance(labels, str): labels = labels.split() @@ -266,7 +269,7 @@ def set_array_labels(group, labels=None, simple_labels=False, # 2.a: check for not enough and too many labels if len(tlabels) < ncols: for i in range(len(tlabels), ncols): - tlabels.append("col%i" % (i+1)) + tlabels.append(f"col{i+1:d}") elif len(tlabels) > ncols: tlabels = tlabels[:ncols] @@ -285,7 +288,7 @@ def set_array_labels(group, labels=None, simple_labels=False, j += 1 if j == len(extras): break - lname = "%s_%s" % (tlabels[i], extras[j]) + lname = f"{tlabels[i]}_{extras[j]}" if lname in labels: lname = clabels[i] labels.append(lname) @@ -361,7 +364,7 @@ def write_ascii(filename, *args, commentchar="#", label=None, header=None): with open(filename, "w", encoding=sys.getdefaultencoding()) as fout: fout.write("\n".join(buff)) - sys.stdout.write("wrote to file "%s"\n" % filename) + write(f"wrote to file '{filename}'") def read_fdmnes(filename, **kwargs): From e287ef7a5661ce01fbde00ab4bcb8a5cebe2b0c0 Mon Sep 17 00:00:00 2001 From: Matthew Newville Date: Sun, 21 Jul 2024 16:34:07 -0500 Subject: [PATCH 04/13] more edges simple atomic symbols --- src/pynxxas/models/nexus.py | 11 ++++++++--- 1 file changed, 8 insertions(+), 3 deletions(-) diff --git a/src/pynxxas/models/nexus.py b/src/pynxxas/models/nexus.py index 40b698f..8d85d5e 100644 --- a/src/pynxxas/models/nexus.py +++ b/src/pynxxas/models/nexus.py @@ -13,6 +13,11 @@ from . import units +XRAY_EDGES = ("K", "L1", "L2", "L3", "M1", "M2", "M3", "M4", "M5", + "N1", "N2", "M3", "N4", "N5", "N6", "N7", + "O1", "O2", "O3", "P1", "P2", "P3") + +ATOMIC_SYMBOLS = [e.symbol for e in periodictable.elements][1:] class NxGroup(pydantic.BaseModel, extra="allow"): pass @@ -66,11 +71,11 @@ class NxXasMode(StrEnum): ChemicalElement = StrEnum( - "ChemicalElement", {el.symbol: el.symbol for el in periodictable.elements} -) + "ChemicalElement", {s: s for s in ATOMIC_SYMBOLS} + ) XRayCoreExcitationState = StrEnum( - "XRayCoreExcitationState", {s: s for s in ("K", "L1", "L2", "L3")} + "XRayCoreExcitationState", {s: s for s in XRAY_EDGES} ) From 4c0eb1fde1c178f15343da1fca5a918b6665dc89 Mon Sep 17 00:00:00 2001 From: Matthew Newville Date: Sun, 21 Jul 2024 16:34:26 -0500 Subject: [PATCH 05/13] more array name aliases --- src/pynxxas/models/xdi.py | 29 ++++++++++++++++++++++------- 1 file changed, 22 insertions(+), 7 deletions(-) diff --git a/src/pynxxas/models/xdi.py b/src/pynxxas/models/xdi.py index 7353d07..863329d 100644 --- a/src/pynxxas/models/xdi.py +++ b/src/pynxxas/models/xdi.py @@ -32,20 +32,35 @@ class XdiMonoNamespace(XdiBaseModel): d_spacing: Optional[units.PydanticQuantity] = None +# common alternate spellings of XDI arrays +XDI_ARRAY_ALIASES = {"monitor": "i0", + "i1": "itrans", + "itransmission": "itrans", + "if": "ifluor", + "ifl": "ifluor", + "ifluo": "ifluor", + "ifluorescence": "ifluor", + "iref": "irefer", + "ir": "irefer", + } + + class XdiDetectorNamespace(XdiBaseModel): i0: Optional[str] = None - it: Optional[str] = None - ifluo: Optional[str] = None - ir: Optional[str] = None + itrans: Optional[str] = None + ifluor: Optional[str] = None + irefer: Optional[str] = None @pydantic.model_validator(mode="before") @classmethod - def rename_if(cls, data: Any) -> Any: + def resolve_aliases(cls, data: Any) -> Any: if not isinstance(data, Mapping): return data - if "if" in data: - data = dict(data) - data["ifluo"] = data["if"] + data = dict(data) + for alias, target in XDI_ARRAY_ALIASES.items(): + if alias in data: + print("resolve aliase ", alias, target) + data[target] = data[alias] return data From 2f748921e45fe483745db796ab1ee34c42491dff Mon Sep 17 00:00:00 2001 From: Matthew Newville Date: Sun, 21 Jul 2024 21:00:01 -0500 Subject: [PATCH 06/13] expose convert_files from io module --- src/pynxxas/io/__init__.py | 2 ++ 1 file changed, 2 insertions(+) diff --git a/src/pynxxas/io/__init__.py b/src/pynxxas/io/__init__.py index 0efa822..4895d7c 100644 --- a/src/pynxxas/io/__init__.py +++ b/src/pynxxas/io/__init__.py @@ -5,6 +5,8 @@ import pydantic +from .convert import convert_files + from .url_utils import UrlType from .utils import read_textfile, gformat, fix_varname from .columnfile import read_columnfile From e4aa5415bb64e00ad6425fdf657b0a7a02280622 Mon Sep 17 00:00:00 2001 From: Matthew Newville Date: Sun, 21 Jul 2024 22:01:16 -0500 Subject: [PATCH 07/13] add conversion example --- conversion_examples/Fe_XDIFiles/fe2o3_rt.xdi | 375 +++++++++++++++ .../Fe_XDIFiles/fe2o3_rt_new.xdi | 386 +++++++++++++++ .../Fe_XDIFiles/fe_metal_rt.xdi | 375 +++++++++++++++ .../Fe_XDIFiles/fe_metal_rt_new.xdi | 386 +++++++++++++++ .../Fe_XDIFiles/fe_xas_nexus.h5 | Bin 0 -> 721920 bytes conversion_examples/Fe_XDIFiles/feo_rt1.xdi | 432 +++++++++++++++++ .../Fe_XDIFiles/feo_rt1_new.xdi | 443 ++++++++++++++++++ .../Fe_XDIFiles/make_fe_xas.py | 205 ++++++++ conversion_examples/README | 29 ++ 9 files changed, 2631 insertions(+) create mode 100644 conversion_examples/Fe_XDIFiles/fe2o3_rt.xdi create mode 100644 conversion_examples/Fe_XDIFiles/fe2o3_rt_new.xdi create mode 100644 conversion_examples/Fe_XDIFiles/fe_metal_rt.xdi create mode 100644 conversion_examples/Fe_XDIFiles/fe_metal_rt_new.xdi create mode 100644 conversion_examples/Fe_XDIFiles/fe_xas_nexus.h5 create mode 100644 conversion_examples/Fe_XDIFiles/feo_rt1.xdi create mode 100644 conversion_examples/Fe_XDIFiles/feo_rt1_new.xdi create mode 100644 conversion_examples/Fe_XDIFiles/make_fe_xas.py create mode 100644 conversion_examples/README diff --git a/conversion_examples/Fe_XDIFiles/fe2o3_rt.xdi b/conversion_examples/Fe_XDIFiles/fe2o3_rt.xdi new file mode 100644 index 0000000..91c8032 --- /dev/null +++ b/conversion_examples/Fe_XDIFiles/fe2o3_rt.xdi @@ -0,0 +1,375 @@ +# XDI/1.0 GSE/1.0 +# Column.1: energy eV +# Column.2: mutrans +# Column.3: i0 +# Element.edge: K +# Element.symbol: Fe +# Scan.edge_energy: 7112. +# Mono.name: Si 111 +# Mono.d_spacing: 3.13550 +# Beamline.name: 13-BM-D +# Beamline.collimation: none +# Beamline.focusing: no +# Beamline.harmonic_rejection: detuned 50% +# Facility.name: APS +# Facility.energy: 7.00 GeV +# Facility.xray_source: APS bending magnet +# Scan.start_time: 2002-03-16T14:48:54 +# Detector.I0: 15cm N2 +# Detector.I1: 15cm N2 +# Sample.name: Fe2O3 +# Sample.prep: powder on tape, 5 layers +# /// +# room temperature +# measured at beamline 13-BM-D +# vert slits = 2mm (at 45m) +#---- +# energy mutrans i0 + 6962.0000 0.45269463 304063.00 + 6972.0000 0.44131901 306084.00 + 6982.0000 0.42886603 305972.00 + 6992.0000 0.41720181 305954.00 + 7002.0000 0.40586037 305931.00 + 7012.0000 0.39476727 305999.00 + 7022.0000 0.38227361 306003.00 + 7032.0000 0.37157474 305809.00 + 7042.0000 0.35982906 305752.00 + 7052.0000 0.34804244 305475.00 + 7062.0000 0.33716946 305660.00 + 7072.0000 0.32710733 305579.00 + 7082.0000 0.31647106 305811.00 + 7092.0000 0.30560275 305451.00 + 7092.5000 0.30563443 305329.00 + 7093.0000 0.30510714 305069.00 + 7093.5000 0.30390423 305163.00 + 7094.0000 0.30340004 305062.00 + 7094.5000 0.30247679 305020.00 + 7095.0000 0.30161030 305010.00 + 7095.5000 0.30143560 304904.00 + 7096.0000 0.30182272 305018.00 + 7096.5000 0.30064646 305066.00 + 7097.0000 0.30053491 304982.00 + 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a/conversion_examples/Fe_XDIFiles/fe2o3_rt_new.xdi b/conversion_examples/Fe_XDIFiles/fe2o3_rt_new.xdi new file mode 100644 index 0000000..68992dc --- /dev/null +++ b/conversion_examples/Fe_XDIFiles/fe2o3_rt_new.xdi @@ -0,0 +1,386 @@ +# XDI/1.1 +# Column.1: energy eV +# Column.2: norm +# Column.3: itrans +# Column.4: i0 +# Element.edge: K +# Element.symbol: Fe +# Scan.edge_energy: 7112. +# Mono.name: Si 111 +# Mono.d_spacing: 3.13550 +# Beamline.name: 13-BM-D +# Beamline.collimation: none +# Beamline.focusing: no +# Beamline.harmonic_rejection: detuned 50% +# Facility.name: APS +# Facility.energy: 7.00 GeV +# Facility.xray_source: APS bending magnet +# Scan.start_time: 2002-03-16T14:48:54 +# Detector.I0: 15cm N2 +# Detector.I1: 15cm N2 +# Sample.name: Fe2O3 +# Sample.prep: powder on tape, 5 layers +# Process.program: xraylarch +# Process.version: 0.9.80 +# Process.command: pre_edge(data, e0=None, step=None, nnorm=None, nvict=0, pre1=-150, pre2=-50, norm1=150, norm2=750, make_flat=True) +# Process.step1: energy = data[:,0] # column 1: energy (eV) +# Process.step2: itrans = data[:, 2] # column 3: transmitted beam intensity +# Process.step3: i0 = data[:, 3] # column 4: incident beam intensity +# Process.step4: mu = -log(itrans/i0) # absorbance +# Process.step5: edge_step = 0.274590899 +# Process.step6: pre_edge = 8.491519587 + -0.001154743*energy +# Process.step7: intensity = norm = (mu - pre_edge) /edge_step +# /// +# room temperature +# measured at beamline 13-BM-D +# vert slits = 2mm (at 45m) +#--------------------------------- +# energy norm itrans i0 + 6962.00000000 0.00179686946 193357.390000 304063.000000 + 6972.00000000 0.00242255132 196869.390000 306084.000000 + 6982.00000000 -0.00087527631 199263.390000 305972.000000 + 6992.00000000 -0.00130061253 201589.390000 305954.000000 + 7002.00000000 -0.00055045458 203873.400000 305931.000000 + 7012.00000000 0.00110410334 206193.400000 305999.000000 + 7022.00000000 -0.00234187196 208788.390000 306003.000000 + 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b/conversion_examples/Fe_XDIFiles/fe_metal_rt.xdi @@ -0,0 +1,375 @@ +# XDI/1.0 GSE/1.0 +# Column.1: energy eV +# Column.2: mutrans +# Column.3: i0 +# Element.edge: K +# Element.symbol: Fe +# Scan.edge_energy: 7112. +# Mono.name: Si 111 +# Mono.d_spacing: 3.13550 +# Beamline.name: 13-BM-D +# Beamline.collimation: none +# Beamline.focusing: no +# Beamline.harmonic_rejection: detuned 50% +# Facility.name: APS +# Facility.energy: 7.00 GeV +# Facility.xray_source: APS bending magnet +# Scan.start_time: 2002-03-16T19:49:43 +# Detector.I0: 15cm N2 +# Detector.I1: 15cm N2 +# Sample.name: Fe metal foil +# Sample.prep: standard foil (Joe Wong boxed set) +# /// +# room temperature +# measured at beamline 13-BM-D +# vert slits = 2mm (at 45m) +#---- +# energy mutrans i0 + 6962.0000 0.10632858 303156.00 + 6972.0000 0.96232605E-01 305705.00 + 6982.0000 0.86022042E-01 305821.00 + 6992.0000 0.75641065E-01 306373.00 + 7002.0000 0.65761946E-01 305919.00 + 7012.0000 0.55578092E-01 305809.00 + 7022.0000 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7929.6810 1.4501718 304935.00 + 7935.2760 1.4432641 305114.00 + 7940.8900 1.4376191 304546.00 + 7946.5230 1.4310495 305275.00 + 7952.1750 1.4236089 304814.00 + 7957.8470 1.4173017 304878.00 + 7963.5370 1.4099801 304792.00 + 7969.2470 1.4023708 305018.00 diff --git a/conversion_examples/Fe_XDIFiles/fe_metal_rt_new.xdi b/conversion_examples/Fe_XDIFiles/fe_metal_rt_new.xdi new file mode 100644 index 0000000..7eba633 --- /dev/null +++ b/conversion_examples/Fe_XDIFiles/fe_metal_rt_new.xdi @@ -0,0 +1,386 @@ +# XDI/1.1 +# Column.1: energy eV +# Column.2: norm +# Column.3: itrans +# Column.4: i0 +# Element.edge: K +# Element.symbol: Fe +# Scan.edge_energy: 7112. +# Mono.name: Si 111 +# Mono.d_spacing: 3.13550 +# Beamline.name: 13-BM-D +# Beamline.collimation: none +# Beamline.focusing: no +# Beamline.harmonic_rejection: detuned 50% +# Facility.name: APS +# Facility.energy: 7.00 GeV +# Facility.xray_source: APS bending magnet +# Scan.start_time: 2002-03-16T19:49:43 +# Detector.I0: 15cm N2 +# Detector.I1: 15cm N2 +# Sample.name: Fe metal foil +# Sample.prep: standard foil (Joe Wong boxed set) +# Process.program: xraylarch +# Process.version: 0.9.80 +# Process.command: pre_edge(data, e0=None, step=None, nnorm=None, nvict=0, pre1=-150, pre2=-50, norm1=150, norm2=750, make_flat=True) +# Process.step1: energy = data[:,0] # column 1: energy (eV) +# Process.step2: itrans = data[:, 2] # column 3: transmitted beam intensity +# Process.step3: i0 = data[:, 3] # column 4: incident beam intensity +# Process.step4: mu = -log(itrans/i0) # absorbance +# Process.step5: edge_step = 3.130141510 +# Process.step6: pre_edge = 7.008599041 + -9.915004e-4*energy +# Process.step7: intensity = norm = (mu - pre_edge) /edge_step +# /// +# room temperature +# measured at beamline 13-BM-D +# vert slits = 2mm (at 45m) +#--------------------------------- +# energy norm itrans i0 + 6962.00000000 0.00017748714 272576.400000 303156.000000 + 6972.00000000 0.00011967165 277657.400000 305705.000000 + 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z{5b7r0QM_~82~Tc6Agf;+7mIp*<1s#_cX--(r?!pK>o8%q1`=M2H?NBu_5pxcQgdO zWlBTHHzNSC#b^w#xyTUmB|1aMZ|WJ8gYRMdb3-FY*I$9yqJa_E`^?KoDPFIG1Mq(K z%U~l|*Sle|5tK83p%L&AxXMT=?mwe2GX&Wz2jk0I8bf|RJK%jW&dnI?b?;~lydCUk zjC_njy<78)fhW6d#*qJzlg3cKw0oHDl(`AW!L>{v{=Cuz(&zh|fM1K^O&~wlX(m{n z)h57O&=M19SHYJ}Am1mqO`zT6T{Hn6!|IqS#ry57Hm0DrtCuO%@3(_ZpFU~8zRGW|TitUz= z&sXR0IcsPh%2#czz+Sey74SCS7vIx69b*OlJf3O=e6?ANXn52L{Ofqv3d%WiofVY3 zUR`UD*R-*QbW@|Pq1?WisNXyVpZBZ}TSL8c$wIk|p&aCewsJ^+s)ii=DDpt8>M4i( zgSyJWZVMGYM>uM{69V&-zS`ujM!+i9Lis61L`e4h3ST+qimcdhxN|VdMI(d G^Zx--fls#p literal 0 HcmV?d00001 diff --git a/conversion_examples/Fe_XDIFiles/feo_rt1.xdi b/conversion_examples/Fe_XDIFiles/feo_rt1.xdi new file mode 100644 index 0000000..495a55a --- /dev/null +++ b/conversion_examples/Fe_XDIFiles/feo_rt1.xdi @@ -0,0 +1,432 @@ +# XDI/1.0 +# Column.1: energy eV +# Column.2: mutrans +# Column.3: i0 +# Element.edge: K +# Element.symbol: Fe +# Scan.start_time: 2001-08-10T11:10:00 +# Mono.name: Si 111 +# Mono.d_spacing: 3.13553 +# Beamline.name: 20BM +# Beamline.focusing: no +# Beamline.harmonic_rejection: detuned +# Detector.I0: N2 15cm +# Detector.I1: N2 15cm +# Sample.name: FeO +# Sample.notes: room temperature, powder on tape, 4 layers +# /// +# data from NXS school, 2001 +#------------------------ +# energy mutrans i0 + 6911.7671 -0.35992590E-01 280101.00 + 6916.8730 -0.39081634E-01 278863.00 + 6921.7030 -0.42193483E-01 278149.00 + 6926.8344 -0.45165576E-01 277292.00 + 6931.7399 -0.47365589E-01 265707.00 + 6936.9887 -0.51824526E-01 286669.00 + 6941.7869 -0.54345142E-01 285989.00 + 6946.8779 -0.57534656E-01 284661.00 + 6951.9154 -0.60404535E-01 284411.00 + 6956.9401 -0.63496774E-01 283577.00 + 6961.9621 -0.66253301E-01 283824.00 + 6966.8684 -0.69411878E-01 283568.00 + 6971.9156 -0.72276060E-01 283397.00 + 6976.8572 -0.75346493E-01 283310.00 + 6981.9918 -0.78131005E-01 283214.00 + 6986.8759 -0.80983962E-01 283061.00 + 6991.9328 -0.83849719E-01 282971.00 + 6996.9144 -0.86748719E-01 283022.00 + 7001.8515 -0.89708205E-01 282885.00 + 7006.9934 -0.92703649E-01 282810.00 + 7011.8412 -0.95368015E-01 282732.00 + 7016.9463 -0.98405177E-01 282596.00 + 7021.8712 -0.10117834 282484.00 + 7026.8765 -0.10382368 282375.00 + 7031.9730 -0.10672080 282225.00 + 7036.8361 -0.10943124 282119.00 + 7041.8952 -0.11203882 282087.00 + 7046.8567 -0.11484428 282034.00 + 7051.8254 -0.11746089 282011.00 + 7056.8965 -0.12024282 281905.00 + 7061.8378 -0.12257262 281847.00 + 7066.7546 -0.12499900 281772.00 + 7071.8057 -0.12740380 281634.00 + 7076.7476 -0.12957813 281516.00 + 7081.6860 -0.13160163 281309.00 + 7086.7913 -0.13317032 281051.00 + 7091.5312 -0.13442890 280416.00 + 7096.5552 -0.13462033 277908.00 + 7101.5653 -0.13600264 240033.00 + 7101.9395 -0.13821163 247919.00 + 7102.2817 -0.13848671 257073.00 + 7102.6987 -0.13669881 270033.00 + 7103.1906 -0.13361964 279482.00 + 7103.6399 -0.13235382 282387.00 + 7104.0036 -0.13184203 283089.00 + 7104.2818 -0.13145725 283283.00 + 7104.6241 -0.13105615 283337.00 + 7105.0950 -0.13007480 283379.00 + 7105.5231 -0.12972524 283327.00 + 7105.8763 -0.12906308 283280.00 + 7106.2402 -0.12820551 283187.00 + 7106.5721 -0.12779651 283067.00 + 7107.0646 -0.12650680 283049.00 + 7107.5251 -0.12534315 282911.00 + 7107.9427 -0.12418890 282903.00 + 7108.3176 -0.12289514 282797.00 + 7108.5961 -0.12159500 282677.00 + 7108.9711 -0.11921916 282618.00 + 7109.5068 -0.11541237 282510.00 + 7109.9354 -0.11000525 282431.00 + 7110.2784 -0.10302579 282346.00 + 7110.6214 -0.93821422E-01 282332.00 + 7111.0073 -0.81290386E-01 282210.00 + 7111.4683 -0.68571128E-01 282123.00 + 7111.9186 -0.60274265E-01 282115.00 + 7112.3583 -0.53379949E-01 282037.00 + 7112.6693 -0.47609055E-01 281994.00 + 7112.9374 -0.41369414E-01 281937.00 + 7113.3772 -0.34623186E-01 281871.00 + 7113.8278 -0.30176765E-01 281825.00 + 7114.2462 -0.23621269E-01 281778.00 + 7114.5789 -0.13749109E-01 281795.00 + 7114.9008 -0.24494087E-02 281840.00 + 7115.3194 0.16936533E-01 281698.00 + 7115.8132 0.45836189E-01 281660.00 + 7116.2426 0.75197507E-01 281583.00 + 7116.6721 0.11009566 281567.00 + 7116.9728 0.14427841 281577.00 + 7117.2627 0.19080203 281547.00 + 7117.7783 0.26433047 281547.00 + 7118.2402 0.33439169 281500.00 + 7118.6270 0.40469157 281460.00 + 7118.9708 0.46594703 281469.00 + 7119.2931 0.51933041 281427.00 + 7119.7660 0.59593646 281425.00 + 7120.2067 0.65853366 281361.00 + 7120.6367 0.71506333 281376.00 + 7121.0344 0.76685939 281330.00 + 7121.3247 0.81331120 281224.00 + 7121.6473 0.88132224 281254.00 + 7122.0990 0.96982546 281217.00 + 7122.5507 1.0609442 281234.00 + 7122.9272 1.1520083 281186.00 + 7123.2500 1.2277466 281156.00 + 7123.5943 1.3064567 281139.00 + 7124.0785 1.3897857 281237.00 + 7124.5412 1.4488121 281092.00 + 7124.9718 1.4916355 281111.00 + 7125.3377 1.5253895 281108.00 + 7125.6392 1.5576798 281113.00 + 7125.9945 1.6054069 281001.00 + 7126.5329 1.6685989 281104.00 + 7126.9744 1.7280946 280979.00 + 7127.3191 1.7788395 280857.00 + 7127.6315 1.8158746 280685.00 + 7127.9977 1.8452568 280560.00 + 7128.5149 1.8495809 280587.00 + 7128.9244 1.8256022 280673.00 + 7129.3555 1.7821155 280602.00 + 7129.7111 1.7332258 280574.00 + 7129.9806 1.6808437 280588.00 + 7130.3903 1.5977283 280512.00 + 7130.8539 1.5268502 280368.00 + 7131.2852 1.4647408 280353.00 + 7131.6087 1.4147310 280324.00 + 7131.9323 1.3753900 280355.00 + 7132.3314 1.3349634 280358.00 + 7132.8384 1.2963582 280325.00 + 7133.2484 1.2711328 280340.00 + 7133.6585 1.2517658 280358.00 + 7134.0146 1.2359428 280338.00 + 7134.3060 1.2211765 280400.00 + 7134.7701 1.1994605 280376.00 + 7135.2559 1.1813965 280369.00 + 7135.6770 1.1658542 280380.00 + 7135.9902 1.1533380 280318.00 + 7136.3141 1.1429410 280310.00 + 7136.7570 1.1317763 280299.00 + 7137.2322 1.1234352 280348.00 + 7137.6428 1.1194838 280287.00 + 7138.0533 1.1183458 280265.00 + 7138.3667 1.1192256 280233.00 + 7138.6801 1.1232701 280231.00 + 7139.1016 1.1326786 280223.00 + 7139.5880 1.1450271 280226.00 + 7139.9664 1.1576786 280223.00 + 7140.3015 1.1711663 280225.00 + 7140.6043 1.1846449 280199.00 + 7141.1017 1.2032606 280261.00 + 7141.5451 1.2161074 280234.00 + 7141.9670 1.2251375 280277.00 + 7142.3456 1.2293467 280266.00 + 7142.6810 1.2305564 280215.00 + 7143.0165 1.2285678 280222.00 + 7143.5034 1.2203257 280148.00 + 7143.9688 1.2097022 280235.00 + 7144.3693 1.1974111 280259.00 + 7144.6616 1.1865185 280184.00 + 7145.0081 1.1728950 280209.00 + 7145.5061 1.1548904 280141.00 + 7145.9285 1.1390832 280171.00 + 7146.1342 1.1320942 280202.00 + 7147.1308 1.0998926 281607.47 + 7148.3769 1.0672428 282953.53 + 7149.4825 1.0462001 284295.16 + 7150.7729 1.0305708 285557.34 + 7151.9661 1.0203347 286899.06 + 7153.2031 1.0129244 288155.28 + 7154.5382 1.0093910 289438.03 + 7155.7110 1.0107830 290658.28 + 7157.0580 1.0182706 291973.00 + 7158.3621 1.0302146 293176.19 + 7159.6775 1.0426520 294404.84 + 7161.1349 1.0576181 295627.97 + 7162.3752 1.0716599 296860.50 + 7163.8554 1.0946207 297949.50 + 7165.2383 1.1318477 299143.88 + 7166.5673 1.1753118 300242.69 + 7168.1256 1.2199916 301310.91 + 7169.6520 1.2569450 302427.50 + 7171.0481 1.2828485 303495.50 + 7172.5757 1.2985035 304598.88 + 7174.1587 1.3049304 305727.59 + 7175.6768 1.3015198 306769.69 + 7177.2065 1.2871232 307837.12 + 7178.9337 1.2605068 308895.94 + 7180.5524 1.2322326 309864.06 + 7182.1171 1.2065797 310682.53 + 7183.6825 1.1838061 310947.31 + 7185.4567 1.1639835 291081.44 + 7187.2319 1.1441377 313204.84 + 7188.9312 1.1256682 315022.59 + 7190.5875 1.1096090 316211.62 + 7192.3105 1.0955437 317246.97 + 7194.1551 1.0865875 318316.56 + 7196.0336 1.0848043 319271.47 + 7197.8472 1.0896318 320241.66 + 7199.5848 1.0976847 321266.12 + 7201.3452 1.1061971 322265.88 + 7203.3158 1.1127269 323200.88 + 7205.3535 1.1137379 324151.12 + 7207.2492 1.1113734 325150.66 + 7209.1459 1.1091910 325885.44 + 7211.1209 1.1094735 326697.44 + 7213.0750 1.1128175 327662.72 + 7215.0412 1.1197526 328640.22 + 7217.0748 1.1290785 329532.97 + 7219.0322 1.1381600 330473.94 + 7221.2010 1.1431486 331416.12 + 7223.3269 1.1401358 332369.56 + 7225.4540 1.1303143 333202.22 + 7227.5271 1.1164000 334086.09 + 7229.6901 1.0995240 334967.16 + 7231.9100 1.0815925 335961.47 + 7234.0757 1.0654326 336863.97 + 7236.2428 1.0548029 337815.69 + 7238.4892 1.0525590 338886.59 + 7240.7815 1.0627457 329086.72 + 7243.0196 1.0736859 335643.00 + 7245.2257 1.0889298 339365.53 + 7247.5225 1.1001406 338137.22 + 7249.8877 1.1054398 341598.09 + 7252.2322 1.1045125 342507.16 + 7254.4441 1.1010799 343352.41 + 7256.8923 1.0972424 344216.84 + 7259.2080 1.0958877 344988.47 + 7261.6595 1.0970404 345766.25 + 7263.9447 1.0995099 346708.22 + 7266.3884 1.1014074 347433.34 + 7268.9011 1.1022522 348203.62 + 7271.3707 1.1011670 348895.09 + 7273.9207 1.0968847 349891.75 + 7276.5063 1.0896655 349788.53 + 7279.0825 1.0796905 350767.47 + 7281.4918 1.0677709 351364.59 + 7284.1280 1.0535296 351945.88 + 7286.6761 1.0388369 352112.28 + 7289.1808 1.0252689 350398.84 + 7291.9020 1.0125549 350983.59 + 7294.6478 1.0049324 355958.44 + 7297.3619 1.0017291 355658.47 + 7299.8969 1.0020062 353997.62 + 7302.5698 1.0061912 357607.94 + 7305.3240 1.0118459 358382.41 + 7308.1031 1.0176879 358969.97 + 7310.9298 1.0233727 359729.72 + 7313.6451 1.0270807 360319.56 + 7316.3398 1.0289684 360879.56 + 7319.1731 1.0292163 361472.69 + 7322.1113 1.0282723 362090.97 + 7325.0177 1.0262630 363008.34 + 7327.7096 1.0234467 363582.88 + 7330.5978 1.0195606 363831.53 + 7333.6712 1.0146257 364127.31 + 7336.4156 1.0094656 365954.19 + 7339.2995 1.0037065 366482.22 + 7342.4034 0.99705389 366602.38 + 7345.3151 0.99097685 367317.62 + 7348.2866 0.98544173 367739.03 + 7351.3295 0.98071048 369123.53 + 7354.3750 0.97719849 369536.16 + 7357.4117 0.97406777 370156.88 + 7360.4970 0.97046026 370775.72 + 7363.5965 0.96636350 371269.69 + 7366.7103 0.96222490 371863.75 + 7369.8730 0.95827779 372499.94 + 7372.9923 0.95487866 370256.25 + 7376.1260 0.95285110 373437.62 + 7379.4708 0.95062008 374052.16 + 7382.5638 0.94927795 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+ 8084.0938 0.42842774 425436.22 diff --git a/conversion_examples/Fe_XDIFiles/feo_rt1_new.xdi b/conversion_examples/Fe_XDIFiles/feo_rt1_new.xdi new file mode 100644 index 0000000..cfeb38c --- /dev/null +++ b/conversion_examples/Fe_XDIFiles/feo_rt1_new.xdi @@ -0,0 +1,443 @@ +# XDI/1.1 +# Column.1: energy eV +# Column.2: norm +# Column.3: itrans +# Column.4: i0 +# Element.edge: K +# Element.symbol: Fe +# Scan.start_time: 2001-08-10T11:10:00 +# Mono.name: Si 111 +# Mono.d_spacing: 3.13553 +# Beamline.name: 20BM +# Beamline.focusing: no +# Beamline.harmonic_rejection: detuned +# Detector.I0: N2 15cm +# Detector.I1: N2 15cm +# Sample.name: FeO +# Sample.notes: room temperature, powder on tape, 4 layers +# Process.program: xraylarch +# Process.version: 0.9.80 +# Process.command: pre_edge(data, e0=None, step=None, nnorm=None, nvict=0, pre1=-150, pre2=-50, norm1=150, norm2=750, make_flat=True) +# Process.step1: energy = data[:,0] # column 1: energy (eV) +# Process.step2: itrans = data[:, 2] # column 3: transmitted beam intensity +# Process.step3: i0 = data[:, 3] # column 4: incident beam intensity +# Process.step4: mu = -log(itrans/i0) # absorbance +# Process.step5: edge_step = 1.388601103 +# Process.step6: pre_edge = 3.826315582 + -5.592593e-4*energy +# Process.step7: intensity = norm = (mu - pre_edge) /edge_step +# /// +# data from NXS school, 2001 +#--------------------------------- +# energy norm itrans i0 + 6911.76710000 0.00227680398 290366.180000 280101.000000 + 6916.87300000 0.00210863319 289977.180000 278863.000000 + 6921.70300000 0.00181292063 290136.180000 278149.000000 + 6926.83440000 0.00173924213 290103.180000 277292.000000 + 6931.73990000 0.00213059520 278595.180000 265707.000000 + 6936.98870000 0.00103345002 301917.180000 286669.000000 + 6941.78690000 0.00115070599 301961.180000 285989.000000 + 6946.87790000 0.00090418083 301519.180000 284661.000000 + 6951.91540000 0.00086629343 302120.180000 284411.000000 + 6956.94010000 0.00066311845 302167.180000 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8052.36440000 0.80958959406 271604.520000 424749.810000 + 8058.37570000 0.80939874384 272675.250000 424880.470000 + 8064.28490000 0.80921140049 273806.000000 425124.160000 + 8070.20310000 0.80915859781 273602.780000 423373.880000 + 8076.08850000 0.80888866027 275816.590000 425237.620000 + 8082.06650000 0.80881870631 276831.430000 425336.410000 + 8084.09380000 0.80888345946 277185.590000 425436.220000 diff --git a/conversion_examples/Fe_XDIFiles/make_fe_xas.py b/conversion_examples/Fe_XDIFiles/make_fe_xas.py new file mode 100644 index 0000000..0f0e021 --- /dev/null +++ b/conversion_examples/Fe_XDIFiles/make_fe_xas.py @@ -0,0 +1,205 @@ +from nexusformat import nexus +from pathlib import Path +import h5py +import json +import numpy as np +from larch.xafs import pre_edge +from larch.io import read_xdi, read_ascii, write_ascii +from larch.utils import gformat + + +def xdi2nexus(filename, nxroot, entry_name='entry', + data_mode='transmission'): + + asc = read_ascii(filename) + dat = read_xdi(filename) + filename = Path(filename).name + + dat.energy + dat.mu = dat.mutrans*1.0 + dat.itrans = (dat.itrans*100.0).astype('int32')/100.0 # round + dat.array_labels[dat.array_labels.index('mutrans')] = 'mu' + + pre_edge(dat, pre1=-150, pre2=-50, norm1=150, norm2=750) + pre_offset = dat.pre_edge_details.pre_offset + pre_slope = dat.pre_edge_details.pre_slope + nvict = dat.pre_edge_details.nvict + + rawdata = np.zeros((len(dat.energy), 4), dtype='float64') + rawdata[:, 0] = dat.energy + rawdata[:, 1] = dat.norm + rawdata[:, 2] = (dat.itrans*10.0).astype('int32')/10.0 + rawdata[:, 3] = dat.i0*1.0 + + root = nxroot[entry_name] = nexus.NXentry() + + root['definition'] = 'NXxas' + root['mode'] = 'transmission' + root['element'] = dat.attrs['element']['symbol'] + root['absorption_edge'] = dat.attrs['element']['edge'] + root['energy'] = nexus.NXdata(dat.energy) + root['energy'].attrs['units'] = 'eV' + root['intensity'] = nexus.NXdata(dat.norm) + + plot = root['plot'] = nexus.NXdata() + plot['energy'] = root['energy'] + plot['intensity'] = root['intensity'] + + names = {} + + # sample + sample = nexus.NXsample(chemical_formula='Fe') + for aname, value in dat.attrs['sample'].items(): + setattr(sample, aname, value) + if aname.lower() == 'name': + names['sample'] = value + + + # process + kwargs = ", ".join([f"{k}={v}" for k, v in dat.callargs.pre_edge.items()]) + + preline = f"pre_edge = {gformat(pre_offset, 12)} + {gformat(pre_slope, 12)}*energy" + if nvict != 0: + preline = f"({preline})*energy(-{dat.nvict})" + + proc = ["processing done with xraylarch version 0.9.80", + f" larch.xafs.pre_edge(data, {kwargs})", + "using 'data' from arrays in rawdata/signal", + "energy = data[:,0] # column 1: energy (eV)", + "itrans = data[:, 2] # column 3: transmitted beam intensity", + "i0 = data[:, 3] # column 4: incident beam intensity", + "mu = -log(itrans/i0) # absorbance", + f"edge_step = {gformat(dat.edge_step, 12)}", + preline, + "intensity = norm = (mu - pre_edge) /edge_step"] + + notes='\n'.join(proc) + + header = ['XDI/1.1', + 'Column.1: energy eV', 'Column.2: norm', 'Column.3: itrans', 'Column.4: i0'] + end_header = [] + target = header + for j in asc.header[4:]: + if j.startswith('#'): j = j[1:].strip() + if '---' in j: + break + if '///' in j: + target = end_header + target.append(j) + + header.append('Process.program: xraylarch') + header.append('Process.version: 0.9.80') + header.append(f'Process.command: pre_edge(data, {kwargs})') + for i, p in enumerate(proc[3:]): + header.append(f"Process.step{i+1:d}: {p}") + for j in end_header: + if j.startswith('#'): j = j[1:].strip() + header.append(j) + + root['process'] = nexus.NXprocess(program='xraylarch', version='0.9.80', + notes=notes) + + + + # rawdata + root['rawdata'] = nexus.NXdata(rawdata) + root['rawdata'].attrs['column_labels'] = json.dumps(["energy", "intensity", "itrans", "i0"]) + root['rawdata'].attrs['data_collector'] = 'Matthew Newville' + root['rawdata'].attrs['filename'] = filename + + + # scan + scan = root['scan'] = nexus.NXcollection() + scan.headers = json.dumps(dat.attrs) + + for key, val in dat.attrs['scan'].items(): + setattr(scan, key, val) + if getattr(dat, 'comments', None) is not None: + scan.comments = dat.comments + + + inst = root['instrument'] = nexus.NXinstrument() + + source = inst['source'] = nexus.NXsource(type='Synchrotron X-ray Source', + probe='x-ray') + + if 'facility' in dat.attrs: + for aname, value in dat.attrs['facility'].items(): + if aname.lower() == 'energy': + words = value.split(maxsplit=1) + en_value = float(words[0]) + source.energy = en_value + if len(words) > 1: + source.energy.attrs['units'] = words[1] + else: + setattr(source, aname, value) + if aname.lower() == 'name': + names['facility'] = value + + bl = inst['beamline'] = nexus.NXcollection() + for aname, value in dat.attrs['beamline'].items(): + setattr(bl, aname, value) + if aname.lower() == 'name': + names['beamline'] = value + + + title_words = [names.get('sample', filename), + names.get('facility', ''), + names.get('beamline', '')] + root['title'] = (' '.join(title_words)).strip() + + + # mono + d_spacing = dat.attrs['mono'].get('d_spacing', 3.13550) + mono_name = dat.attrs['mono'].get('name', 'Si 111') + + def parse_mono_string(mono_name): + mono_type = 'Si' + for k in ('()[]'): + mono_name = mono_name.replace(k, ' ') + for k in ('SiC', 'Si', 'Ge', 'C'): + mono_name = mono_name.replace(k, f'{k} ') + + words = mono_name.split(maxsplit=1) + if words[0] in ('SiC', 'Si', 'Ge', 'C'): + mono_type = words[0] + + try: + refl = words[1] + if len(refl) > 3: + refl = refl.replace(' ', ',').split(',') + else: + refl = (refl[0], refl[1], refl[2]) + + refl = [int(w.strip()) for w in refl] + except: + refl = (1, 1, 1) + return mono_type, refl + + mono_type, refl = parse_mono_string(mono_name) + mono_crystal = nexus.NXcrystal(type=mono_type, + reflection=np.array(refl), + d_spacing=d_spacing) + + inst['monochromator'] = nexus.NXmonochromator(energy=root['energy'], + crystal=mono_crystal) + + + inst['i0'] = nexus.NXdetector(data=nexus.NXdata(dat.i0), description=dat.attrs['detector']['i0']) + inst['itrans'] = nexus.NXdetector(data=nexus.NXdata(dat.itrans), description=dat.attrs['detector']['i1']) + + outfile = filename.replace('.xdi', '_new.xdi') + write_ascii(outfile, dat.energy, dat.norm, dat.itrans, dat.i0, + header=header, + label = 'energy norm itrans i0') + + print("done ", entry_name) + + + +################ +nxroot = nexus.nxopen('fe_xas_nexus.h5', 'w') + +xdi2nexus('fe_metal_rt.xdi', nxroot, entry_name='fe_metal') +xdi2nexus('fe2o3_rt.xdi', nxroot, entry_name='fe2o3') +xdi2nexus('feo_rt1.xdi', nxroot, entry_name='feo') diff --git a/conversion_examples/README b/conversion_examples/README new file mode 100644 index 0000000..558336a --- /dev/null +++ b/conversion_examples/README @@ -0,0 +1,29 @@ +These examples are essentially built by hand as proof-of-principle +and as points of discussion to drive the pynxxas and NXxas definition. + + +For all datasets: + +1. "intensity" is edge-step normalized XAS. The processing steps are + done with xraylarch, but in a way (linear pre-edge, constant edge step), + that it should be easy to reproduce. + +2. "New" XDI files are written to very, very closely match the NXxas Groups. + +3. The group "rawdata" holds the "original" column data. It also + includes (in column 2, the "intensity"/"normalized mu(E)" so that + the data shape is identical to the new XDI file + + +The scripts are pretty "hacky" and not meant for real use in pynnxas, but more +of a guide. My intention is to *not* rely on larch, but to port code to +robustly read text files, and do basic processing (including pre-edge +subtraction and normalization) into pynxxas. + + + +Folders and Files (so far): +============================= + +Fe_XDIFiles: 3 XDI files (all Fe K edge, transmsission XAFS) + put into a single nexus file. From 1e4a41fac5291659c89e6f95a891eae39801b81e Mon Sep 17 00:00:00 2001 From: Matthew Newville Date: Sun, 21 Jul 2024 22:20:59 -0500 Subject: [PATCH 08/13] add charset_normalizer as dependency --- setup.cfg | 11 ++++++----- 1 file changed, 6 insertions(+), 5 deletions(-) diff --git a/setup.cfg b/setup.cfg index 3016783..b5d3d18 100644 --- a/setup.cfg +++ b/setup.cfg @@ -8,21 +8,21 @@ long_description = file: README.md long_description_content_type = text/markdown license = MIT url = https://github.com/XraySpectroscopy/pynxxas/ -project_urls = +project_urls = Source = https://github.com/XraySpectroscopy/pynxxas/ Documentation = https://pynxxas.readthedocs.io/ Tracker = https://github.com/XraySpectroscopy/pynxxas/issues/ -classifiers = +classifiers = Intended Audience :: Science/Research License :: OSI Approved :: MIT License Programming Language :: Python :: 3 [options] package_dir= - =src + =src packages=find: python_requires = >=3.8 -install_requires = +install_requires = typing_extensions; python_version < "3.9" strenum; python_version < "3.11" numpy @@ -30,6 +30,7 @@ install_requires = pydantic >=2.6 pint periodictable + charset_normalizer [options.packages.find] where=src @@ -56,7 +57,7 @@ console_scripts = [flake8] ignore = E501, E203, W503 max-line-length = 88 -exclude = +exclude = .eggs # E402 (module import not at top of file) ignored From 0ddf82bef72d55ed7de5c587a79c685b8865decb Mon Sep 17 00:00:00 2001 From: Matthew Newville Date: Wed, 24 Jul 2024 09:24:57 -0500 Subject: [PATCH 09/13] update example with Fe XDI files --- .../Fe_XDIFiles/fe_xas_nexus.h5 | Bin 721920 -> 745800 bytes conversion_examples/Fe_XDIFiles/make_xas.py | 209 ++++++++++++++++++ 2 files changed, 209 insertions(+) create mode 100644 conversion_examples/Fe_XDIFiles/make_xas.py diff --git a/conversion_examples/Fe_XDIFiles/fe_xas_nexus.h5 b/conversion_examples/Fe_XDIFiles/fe_xas_nexus.h5 index 25b16cca321a848faea5e8d53e345556113f9390..c52c15eea6a2aaea17fb2fbcf28beab0039752f9 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+from larch.io import read_xdi, read_ascii, write_ascii +from larch.utils import gformat + +def xdi2nexus(filename, nxroot, entry_name='entry', + data_mode='transmission'): + + asc = read_ascii(filename) + dat = read_xdi(filename) + filename = Path(filename).name + + dat.energy + dat.mu = dat.mutrans*1.0 + dat.itrans = (dat.itrans*100.0).astype('int32')/100.0 # round + dat.array_labels[dat.array_labels.index('mutrans')] = 'mu' + + pre_edge(dat, pre1=-150, pre2=-50, norm1=150, norm2=750) + pre_offset = dat.pre_edge_details.pre_offset + pre_slope = dat.pre_edge_details.pre_slope + nvict = dat.pre_edge_details.nvict + + rawdata = np.zeros((len(dat.energy), 4), dtype='float64') + rawdata[:, 0] = dat.energy + rawdata[:, 1] = dat.norm + rawdata[:, 2] = (dat.itrans*10.0).astype('int32')/10.0 + rawdata[:, 3] = dat.i0*1.0 + + root = nxroot[entry_name] = nexus.NXentry() + + root['definition'] = 'NXxas' + root['mode'] = 'transmission' + root['element'] = dat.attrs['element']['symbol'] + root['absorption_edge'] = dat.attrs['element']['edge'] + root['energy'] = dat.energy + root['energy'].attrs['units'] = 'eV' + root['intensity'] = dat.norm + root.attrs['default'] = 'plot' + + plot = root['plot'] = nexus.NXdata() + plot['energy'] = root['energy'] + plot['intensity'] = root['intensity'] + plot.attrs['signal'] = 'intensity' + plot.attrs['axes'] = 'energy' + plot['energy'].attrs['units'] = 'eV' + plot['energy'].attrs['long_name'] = 'Energy (eV)' + plot['intensity'].attrs['long_name'] = 'Normalized mu(E)' + + names = {} + + # sample + sample = nexus.NXsample(chemical_formula='Fe') + for aname, value in dat.attrs['sample'].items(): + setattr(sample, aname, value) + if aname.lower() == 'name': + names['sample'] = value + + # process + kwargs = ", ".join([f"{k}={v}" for k, v in dat.callargs.pre_edge.items()]) + + preline = f"pre_edge = {gformat(pre_offset, 12)} + {gformat(pre_slope, 12)}*energy" + if nvict != 0: + preline = f"({preline})*energy(-{dat.nvict})" + + proc = ["processing done with xraylarch version 0.9.80", + f" larch.xafs.pre_edge(data, {kwargs})", + "using 'data' from arrays in rawdata", + "energy = data[:,0] # column 1: energy (eV)", + "itrans = data[:, 2] # column 3: transmitted beam intensity", + "i0 = data[:, 3] # column 4: incident beam intensity", + "mu = -log(itrans/i0) # absorbance", + f"edge_step = {gformat(dat.edge_step, 12)}", + preline, + "intensity = norm = (mu - pre_edge) /edge_step"] + + notes='\n'.join(proc) + + header = ['XDI/1.1', + 'Column.1: energy eV', 'Column.2: norm', 'Column.3: itrans', 'Column.4: i0'] + end_header = [] + target = header + for j in asc.header[4:]: + if j.startswith('#'): j = j[1:].strip() + if '---' in j: + break + if '///' in j: + target = end_header + target.append(j) + + header.append('Process.program: xraylarch') + header.append('Process.version: 0.9.80') + header.append(f'Process.command: pre_edge(data, {kwargs})') + for i, p in enumerate(proc[3:]): + header.append(f"Process.step{i+1:d}: {p}") + for j in end_header: + if j.startswith('#'): j = j[1:].strip() + header.append(j) + + root['process'] = nexus.NXprocess(program='xraylarch', version='0.9.80', + notes=notes) + + + + # rawdata + root['rawdata'] = rawdata + root['rawdata'].attrs['column_labels'] = json.dumps(["energy", "intensity", "itrans", "i0"]) + root['rawdata'].attrs['data_collector'] = 'Matthew Newville' + root['rawdata'].attrs['filename'] = filename + + + # scan + scan = root['scan'] = nexus.NXcollection() + scan.headers = json.dumps(dat.attrs) + + for key, val in dat.attrs['scan'].items(): + setattr(scan, key, val) + if getattr(dat, 'comments', None) is not None: + scan.comments = dat.comments + + + inst = root['instrument'] = nexus.NXinstrument() + + source = inst['source'] = nexus.NXsource(type='Synchrotron X-ray Source', + probe='x-ray') + + if 'facility' in dat.attrs: + for aname, value in dat.attrs['facility'].items(): + if aname.lower() == 'energy': + words = value.split(maxsplit=1) + en_value = float(words[0]) + source.energy = en_value + if len(words) > 1: + source.energy.attrs['units'] = words[1] + else: + setattr(source, aname, value) + if aname.lower() == 'name': + names['facility'] = value + + bl = inst['beamline'] = nexus.NXcollection() + for aname, value in dat.attrs['beamline'].items(): + setattr(bl, aname, value) + if aname.lower() == 'name': + names['beamline'] = value + + + title_words = [names.get('sample', filename), + names.get('facility', ''), + names.get('beamline', '')] + root['title'] = (' '.join(title_words)).strip() + + + # mono + d_spacing = dat.attrs['mono'].get('d_spacing', 3.13550) + mono_name = dat.attrs['mono'].get('name', 'Si 111') + + def parse_mono_string(mono_name): + mono_type = 'Si' + for k in ('()[]'): + mono_name = mono_name.replace(k, ' ') + for k in ('SiC', 'Si', 'Ge', 'C'): + mono_name = mono_name.replace(k, f'{k} ') + + words = mono_name.split(maxsplit=1) + if words[0] in ('SiC', 'Si', 'Ge', 'C'): + mono_type = words[0] + + try: + refl = words[1] + if len(refl) > 3: + refl = refl.replace(' ', ',').split(',') + else: + refl = (refl[0], refl[1], refl[2]) + + refl = [int(w.strip()) for w in refl] + except: + refl = (1, 1, 1) + return mono_type, refl + + mono_type, refl = parse_mono_string(mono_name) + mono_crystal = nexus.NXcrystal(type=mono_type, + reflection=np.array(refl), + d_spacing=d_spacing) + + inst['monochromator'] = nexus.NXmonochromator(energy=root['energy'], + crystal=mono_crystal) + + + inst['i0'] = nexus.NXdetector(data=dat.i0, description=dat.attrs['detector']['i0']) + inst['itrans'] = nexus.NXdetector(data=dat.itrans, description=dat.attrs['detector']['i1']) + + outfile = filename.replace('.xdi', '_new.xdi') + write_ascii(outfile, dat.energy, dat.norm, dat.itrans, dat.i0, + header=header, + label = 'energy norm itrans i0') + + print("done ", entry_name) + + + +################ +nxroot = nexus.nxopen('fe_xas_nexus.h5', 'w') + +xdi2nexus('fe_metal_rt.xdi', nxroot, entry_name='fe_metal') +xdi2nexus('fe2o3_rt.xdi', nxroot, entry_name='fe2o3') +xdi2nexus('feo_rt1.xdi', nxroot, entry_name='feo') From 7e2851ebedfbfef277f2529465d09583f843bd0d Mon Sep 17 00:00:00 2001 From: Matthew Newville Date: Wed, 24 Jul 2024 09:25:20 -0500 Subject: [PATCH 10/13] cleanup --- .../Fe_XDIFiles/make_fe_xas.py | 205 ------------------ 1 file changed, 205 deletions(-) delete mode 100644 conversion_examples/Fe_XDIFiles/make_fe_xas.py diff --git a/conversion_examples/Fe_XDIFiles/make_fe_xas.py b/conversion_examples/Fe_XDIFiles/make_fe_xas.py deleted file mode 100644 index 0f0e021..0000000 --- a/conversion_examples/Fe_XDIFiles/make_fe_xas.py +++ /dev/null @@ -1,205 +0,0 @@ -from nexusformat import nexus -from pathlib import Path -import h5py -import json -import numpy as np -from larch.xafs import pre_edge -from larch.io import read_xdi, read_ascii, write_ascii -from larch.utils import gformat - - -def xdi2nexus(filename, nxroot, entry_name='entry', - data_mode='transmission'): - - asc = read_ascii(filename) - dat = read_xdi(filename) - filename = Path(filename).name - - dat.energy - dat.mu = dat.mutrans*1.0 - dat.itrans = (dat.itrans*100.0).astype('int32')/100.0 # round - dat.array_labels[dat.array_labels.index('mutrans')] = 'mu' - - pre_edge(dat, pre1=-150, pre2=-50, norm1=150, norm2=750) - pre_offset = dat.pre_edge_details.pre_offset - pre_slope = dat.pre_edge_details.pre_slope - nvict = dat.pre_edge_details.nvict - - rawdata = np.zeros((len(dat.energy), 4), dtype='float64') - rawdata[:, 0] = dat.energy - rawdata[:, 1] = dat.norm - rawdata[:, 2] = (dat.itrans*10.0).astype('int32')/10.0 - rawdata[:, 3] = dat.i0*1.0 - - root = nxroot[entry_name] = nexus.NXentry() - - root['definition'] = 'NXxas' - root['mode'] = 'transmission' - root['element'] = dat.attrs['element']['symbol'] - root['absorption_edge'] = dat.attrs['element']['edge'] - root['energy'] = nexus.NXdata(dat.energy) - root['energy'].attrs['units'] = 'eV' - root['intensity'] = nexus.NXdata(dat.norm) - - plot = root['plot'] = nexus.NXdata() - plot['energy'] = root['energy'] - plot['intensity'] = root['intensity'] - - names = {} - - # sample - sample = nexus.NXsample(chemical_formula='Fe') - for aname, value in dat.attrs['sample'].items(): - setattr(sample, aname, value) - if aname.lower() == 'name': - names['sample'] = value - - - # process - kwargs = ", ".join([f"{k}={v}" for k, v in dat.callargs.pre_edge.items()]) - - preline = f"pre_edge = {gformat(pre_offset, 12)} + {gformat(pre_slope, 12)}*energy" - if nvict != 0: - preline = f"({preline})*energy(-{dat.nvict})" - - proc = ["processing done with xraylarch version 0.9.80", - f" larch.xafs.pre_edge(data, {kwargs})", - "using 'data' from arrays in rawdata/signal", - "energy = data[:,0] # column 1: energy (eV)", - "itrans = data[:, 2] # column 3: transmitted beam intensity", - "i0 = data[:, 3] # column 4: incident beam intensity", - "mu = -log(itrans/i0) # absorbance", - f"edge_step = {gformat(dat.edge_step, 12)}", - preline, - "intensity = norm = (mu - pre_edge) /edge_step"] - - notes='\n'.join(proc) - - header = ['XDI/1.1', - 'Column.1: energy eV', 'Column.2: norm', 'Column.3: itrans', 'Column.4: i0'] - end_header = [] - target = header - for j in asc.header[4:]: - if j.startswith('#'): j = j[1:].strip() - if '---' in j: - break - if '///' in j: - target = end_header - target.append(j) - - header.append('Process.program: xraylarch') - header.append('Process.version: 0.9.80') - header.append(f'Process.command: pre_edge(data, {kwargs})') - for i, p in enumerate(proc[3:]): - header.append(f"Process.step{i+1:d}: {p}") - for j in end_header: - if j.startswith('#'): j = j[1:].strip() - header.append(j) - - root['process'] = nexus.NXprocess(program='xraylarch', version='0.9.80', - notes=notes) - - - - # rawdata - root['rawdata'] = nexus.NXdata(rawdata) - root['rawdata'].attrs['column_labels'] = json.dumps(["energy", "intensity", "itrans", "i0"]) - root['rawdata'].attrs['data_collector'] = 'Matthew Newville' - root['rawdata'].attrs['filename'] = filename - - - # scan - scan = root['scan'] = nexus.NXcollection() - scan.headers = json.dumps(dat.attrs) - - for key, val in dat.attrs['scan'].items(): - setattr(scan, key, val) - if getattr(dat, 'comments', None) is not None: - scan.comments = dat.comments - - - inst = root['instrument'] = nexus.NXinstrument() - - source = inst['source'] = nexus.NXsource(type='Synchrotron X-ray Source', - probe='x-ray') - - if 'facility' in dat.attrs: - for aname, value in dat.attrs['facility'].items(): - if aname.lower() == 'energy': - words = value.split(maxsplit=1) - en_value = float(words[0]) - source.energy = en_value - if len(words) > 1: - source.energy.attrs['units'] = words[1] - else: - setattr(source, aname, value) - if aname.lower() == 'name': - names['facility'] = value - - bl = inst['beamline'] = nexus.NXcollection() - for aname, value in dat.attrs['beamline'].items(): - setattr(bl, aname, value) - if aname.lower() == 'name': - names['beamline'] = value - - - title_words = [names.get('sample', filename), - names.get('facility', ''), - names.get('beamline', '')] - root['title'] = (' '.join(title_words)).strip() - - - # mono - d_spacing = dat.attrs['mono'].get('d_spacing', 3.13550) - mono_name = dat.attrs['mono'].get('name', 'Si 111') - - def parse_mono_string(mono_name): - mono_type = 'Si' - for k in ('()[]'): - mono_name = mono_name.replace(k, ' ') - for k in ('SiC', 'Si', 'Ge', 'C'): - mono_name = mono_name.replace(k, f'{k} ') - - words = mono_name.split(maxsplit=1) - if words[0] in ('SiC', 'Si', 'Ge', 'C'): - mono_type = words[0] - - try: - refl = words[1] - if len(refl) > 3: - refl = refl.replace(' ', ',').split(',') - else: - refl = (refl[0], refl[1], refl[2]) - - refl = [int(w.strip()) for w in refl] - except: - refl = (1, 1, 1) - return mono_type, refl - - mono_type, refl = parse_mono_string(mono_name) - mono_crystal = nexus.NXcrystal(type=mono_type, - reflection=np.array(refl), - d_spacing=d_spacing) - - inst['monochromator'] = nexus.NXmonochromator(energy=root['energy'], - crystal=mono_crystal) - - - inst['i0'] = nexus.NXdetector(data=nexus.NXdata(dat.i0), description=dat.attrs['detector']['i0']) - inst['itrans'] = nexus.NXdetector(data=nexus.NXdata(dat.itrans), description=dat.attrs['detector']['i1']) - - outfile = filename.replace('.xdi', '_new.xdi') - write_ascii(outfile, dat.energy, dat.norm, dat.itrans, dat.i0, - header=header, - label = 'energy norm itrans i0') - - print("done ", entry_name) - - - -################ -nxroot = nexus.nxopen('fe_xas_nexus.h5', 'w') - -xdi2nexus('fe_metal_rt.xdi', nxroot, entry_name='fe_metal') -xdi2nexus('fe2o3_rt.xdi', nxroot, entry_name='fe2o3') -xdi2nexus('feo_rt1.xdi', nxroot, entry_name='feo') From f35261d30213155b8a9f564f20931fc6686fe57b Mon Sep 17 00:00:00 2001 From: Matthew Newville Date: Wed, 24 Jul 2024 09:26:05 -0500 Subject: [PATCH 11/13] add two more examples, update README --- .../KEK_PFdata/Fe_XAS_PF9A_nexus.h5 | Bin 0 -> 349920 bytes conversion_examples/KEK_PFdata/PF9A_2022.dat | 1446 ++++++++++++++++ .../KEK_PFdata/PF9A_2022_new.dat | 1460 +++++++++++++++++ conversion_examples/KEK_PFdata/SAVE.dat | 1446 ++++++++++++++++ conversion_examples/KEK_PFdata/make_xas.py | 256 +++ .../MultiElementFluor/V_XANES_ap1.001 | 448 +++++ .../MultiElementFluor/V_XANES_ap10.001 | 448 +++++ .../MultiElementFluor/V_XANES_ap10_new.001 | 460 ++++++ .../MultiElementFluor/V_XANES_ap11.001 | 448 +++++ .../MultiElementFluor/V_XANES_ap11_new.001 | 460 ++++++ .../MultiElementFluor/V_XANES_ap12.001 | 448 +++++ .../MultiElementFluor/V_XANES_ap12_new.001 | 460 ++++++ .../MultiElementFluor/V_XANES_ap1_new.001 | 460 ++++++ .../MultiElementFluor/V_XANES_ap2.001 | 448 +++++ .../MultiElementFluor/V_XANES_ap2_new.001 | 460 ++++++ .../MultiElementFluor/V_XANES_ap3.001 | 448 +++++ .../MultiElementFluor/V_XANES_ap3_new.001 | 460 ++++++ .../MultiElementFluor/V_XANES_ap4.001 | 448 +++++ .../MultiElementFluor/V_XANES_ap4_new.001 | 460 ++++++ .../MultiElementFluor/V_XANES_ap5.001 | 448 +++++ .../MultiElementFluor/V_XANES_ap5_new.001 | 460 ++++++ .../MultiElementFluor/V_XANES_ap6.001 | 448 +++++ .../MultiElementFluor/V_XANES_ap6_new.001 | 460 ++++++ .../MultiElementFluor/V_XANES_ap7.001 | 448 +++++ .../MultiElementFluor/V_XANES_ap7_new.001 | 460 ++++++ .../MultiElementFluor/V_XANES_ap8.001 | 448 +++++ .../MultiElementFluor/V_XANES_ap8_new.001 | 460 ++++++ .../MultiElementFluor/V_XANES_ap9.001 | 448 +++++ .../MultiElementFluor/V_XANES_ap9_new.001 | 460 ++++++ .../MultiElementFluor/V_XANES_nexus.h5 | Bin 0 -> 5023712 bytes .../MultiElementFluor/make_xas.py | 290 ++++ 31 files changed, 15794 insertions(+) create mode 100644 conversion_examples/KEK_PFdata/Fe_XAS_PF9A_nexus.h5 create mode 100644 conversion_examples/KEK_PFdata/PF9A_2022.dat create mode 100644 conversion_examples/KEK_PFdata/PF9A_2022_new.dat create mode 100644 conversion_examples/KEK_PFdata/SAVE.dat create mode 100644 conversion_examples/KEK_PFdata/make_xas.py create mode 100755 conversion_examples/MultiElementFluor/V_XANES_ap1.001 create mode 100755 conversion_examples/MultiElementFluor/V_XANES_ap10.001 create mode 100644 conversion_examples/MultiElementFluor/V_XANES_ap10_new.001 create mode 100755 conversion_examples/MultiElementFluor/V_XANES_ap11.001 create mode 100644 conversion_examples/MultiElementFluor/V_XANES_ap11_new.001 create mode 100755 conversion_examples/MultiElementFluor/V_XANES_ap12.001 create mode 100644 conversion_examples/MultiElementFluor/V_XANES_ap12_new.001 create mode 100644 conversion_examples/MultiElementFluor/V_XANES_ap1_new.001 create mode 100755 conversion_examples/MultiElementFluor/V_XANES_ap2.001 create mode 100644 conversion_examples/MultiElementFluor/V_XANES_ap2_new.001 create mode 100755 conversion_examples/MultiElementFluor/V_XANES_ap3.001 create mode 100644 conversion_examples/MultiElementFluor/V_XANES_ap3_new.001 create mode 100755 conversion_examples/MultiElementFluor/V_XANES_ap4.001 create mode 100644 conversion_examples/MultiElementFluor/V_XANES_ap4_new.001 create mode 100755 conversion_examples/MultiElementFluor/V_XANES_ap5.001 create mode 100644 conversion_examples/MultiElementFluor/V_XANES_ap5_new.001 create mode 100755 conversion_examples/MultiElementFluor/V_XANES_ap6.001 create mode 100644 conversion_examples/MultiElementFluor/V_XANES_ap6_new.001 create mode 100755 conversion_examples/MultiElementFluor/V_XANES_ap7.001 create mode 100644 conversion_examples/MultiElementFluor/V_XANES_ap7_new.001 create mode 100755 conversion_examples/MultiElementFluor/V_XANES_ap8.001 create mode 100644 conversion_examples/MultiElementFluor/V_XANES_ap8_new.001 create mode 100755 conversion_examples/MultiElementFluor/V_XANES_ap9.001 create mode 100644 conversion_examples/MultiElementFluor/V_XANES_ap9_new.001 create mode 100644 conversion_examples/MultiElementFluor/V_XANES_nexus.h5 create mode 100644 conversion_examples/MultiElementFluor/make_xas.py diff --git 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13.93250 deg + BL9A Fluorescence( 3) Repetition= 1 Points= 1426 + Param file : Std-EXAFS energy axis(2) Block = 6 + + Block Init-Eng Final-Eng Step/eV Time/s Num + 1 6606.20 7061.20 6.50 1.00 70 + 2 7061.20 7076.20 1.00 1.00 15 + 3 7076.20 7181.20 0.10 2.00 1050 + 4 7181.20 7211.20 1.00 2.00 30 + 5 7211.20 7611.20 2.50 3.00 160 + 6 7611.20 8211.20 6.00 3.00 101 + Ortec(-1) NDCH = 3 + Angle(c) Angle(o) time/s 2 3 + Mode 0 0 1 3 + Offset 0 0 7753.700 7157.100 + 17.41446 17.41440 1.00 1792467 14016 + 17.39679 17.39700 1.00 1781004 13757 + 17.37916 17.37910 1.00 1777083 13451 + 17.36157 17.36180 1.00 1769157 13267 + 17.34402 17.34390 1.00 1759846 12957 + 17.32650 17.32690 1.00 1762663 12583 + 17.30902 17.30880 1.00 1768729 12371 + 17.29157 17.29170 1.00 1777051 12318 + 17.27416 17.27410 1.00 1777163 12127 + 17.25678 17.25700 1.00 1769811 11804 + 17.23944 17.23930 1.00 1776825 11456 + 17.22213 17.22230 1.00 1774830 11268 + 17.20486 17.20480 1.00 1775986 11188 + 17.18763 17.18770 1.00 1773964 10849 + 17.17043 17.17040 1.00 1766610 10846 + 17.15326 17.15310 1.00 1757253 10461 + 17.13613 17.13640 1.00 1755397 10297 + 17.11904 17.11880 1.00 1759973 10128 + 17.10198 17.10200 1.00 1753365 10047 + 17.08495 17.08490 1.00 1744496 9922 + 17.06796 17.06790 1.00 1745356 9781 + 17.05100 17.05100 1.00 1743362 9687 + 17.03408 17.03400 1.00 1743018 9566 + 17.01719 17.01740 1.00 1734652 9454 + 17.00034 17.00020 1.00 1737351 9547 + 16.98351 16.98350 1.00 1732015 9465 + 16.96673 16.96690 1.00 1722587 9322 + 16.94997 16.94980 1.00 1708255 9236 + 16.93325 16.93330 1.00 1693598 9201 + 16.91657 16.91670 1.00 1595914 8679 + 16.89991 16.89980 1.00 1686202 9135 + 16.88329 16.88330 1.00 1682423 9112 + 16.86670 16.86680 1.00 1674595 9142 + 16.85015 16.85010 1.00 1657355 8936 + 16.83363 16.83350 1.00 1652704 8943 + 16.81714 16.81720 1.00 1653274 8939 + 16.80069 16.80080 1.00 1558559 8397 + 16.78426 16.78420 1.00 1653053 8962 + 16.76787 16.76790 1.00 1665972 9040 + 16.75152 16.75150 1.00 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a/conversion_examples/KEK_PFdata/PF9A_2022_new.dat b/conversion_examples/KEK_PFdata/PF9A_2022_new.dat new file mode 100644 index 0000000..93089ce --- /dev/null +++ b/conversion_examples/KEK_PFdata/PF9A_2022_new.dat @@ -0,0 +1,1460 @@ +# XDI/1.1 +# Column.1: energy eV +# Column.2: norm +# Column.3: ifluor +# Column.4: i0 +# Column.5: angle_drive +# Column.6: angle_read +# Column.7: time +# Mono : Si(111) D= 3.13551 A Initial angle= 13.93250 deg +# BL9A Fluorescence( 3) Repetition= 1 Points= 1426 +# Param file : Std-EXAFS energy axis(2) Block = 6 +# Block Init-Eng Final-Eng Step/eV Time/s Num +# 1 6606.20 7061.20 6.50 1.00 70 +# 2 7061.20 7076.20 1.00 1.00 15 +# 3 7076.20 7181.20 0.10 2.00 1050 +# 4 7181.20 7211.20 1.00 2.00 30 +# 5 7211.20 7611.20 2.50 3.00 160 +# 6 7611.20 8211.20 6.00 3.00 101 +# Ortec(-1) NDCH = 3 +# Angle(c) Angle(o) time/s 2 3 +# Mode 0 0 1 3 +# Offset 0 0 7753.700 7157.100 +# Process.program: xraylarch +# Process.version: 0.9.80 +# Process.command: pre_edge(data, nvict=0, pre1=-150, pre2=-50, norm1=150, norm2=750, make_flat=True) +# Process.step1: energy = col1 # column 1: energy (eV) +# Process.step2: ifluor = col3 # column 3: fluorescence intensity +# Process.step3: i0 = col4 # column 4: incident beam intensity +# Process.step4: mu = iflour/i0 +# Process.step5: edge_step = 0.098521351 +# Process.step6: pre_edge = -0.027966096 + 4.853685e-6*energy +# Process.step7: intensity = norm = (mu - pre_edge) /edge_step +#--------------------------------- +# energy norm ifluor i0 angle_drive angle_read time + 6565.12779878 0.03979262106 14016.0000000 1792467.00000 17.4144600000 17.4144000000 1.00000000000 + 6571.58952744 0.03850904977 13757.0000000 1781004.00000 17.3967900000 17.3970000000 1.00000000000 + 6578.04994189 0.03661599781 13451.0000000 1777083.00000 17.3791600000 17.3791000000 1.00000000000 + 6584.50899194 0.03558633264 13267.0000000 1769157.00000 17.3615700000 17.3618000000 1.00000000000 + 6590.96662726 0.03388295473 12957.0000000 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import gformat + + + + +PLANCK_HC = 12398.419843320027 +DEG2RAD = 0.017453292519943295 + +def kekpf2nexus(filename, nxroot, entry_name='entry', metadata=None): + + dat = read_ascii(filename, labels='angle_drive, angle_read, time, i0, ifluor') + + meta = {} + if metadata is not None: + for kf, vf in metadata.items(): + if kf not in meta: + meta[kf.lower()] = {} + for k, v in vf.items(): + meta[kf.lower()][k.lower()] = v + + print(meta) + monod = meta['monochromator']['d_spacing'] + + dat.energy = PLANCK_HC/(2*monod*np.sin(DEG2RAD*(dat.data[0, : ]))) + dat.mu = dat.ifluor / dat.i0 + ncolumns = len(dat.array_labels) + 3 + + pre_edge(dat, pre1=-150, pre2=-50, norm1=150, norm2=750) + pre_offset = dat.pre_edge_details.pre_offset + pre_slope = dat.pre_edge_details.pre_slope + nvict = dat.pre_edge_details.nvict + + coldata = [] + coldata.append(dat.energy) + coldata.append(dat.norm*1.0) + coldata.append(dat.ifluor*1.0) + coldata.append(dat.i0*1.0) + + array_labels = ['energy', 'intensity', 'ifluor', 'i0'] + ndat, npts = dat.data.shape + for i in range(ndat): + label = dat.array_labels[i].lower() + if label not in array_labels: + array_labels.append(label) + coldata.append(dat.data[i, :]) + + root = nxroot[entry_name] = nexus.NXentry() + root.attrs['default'] = 'plot' + root['definition'] = 'NXxas' + root['mode'] = 'fluorescence' + root['element'] = meta['element']['symbol'] + root['absorption_edge'] = meta['element']['edge'] + root['energy'] = dat.energy + root['energy'].attrs['units'] = 'eV' + root['intensity'] = dat.norm + + plot = root['plot'] = nexus.NXdata() + plot['energy'] = root['energy'] + plot['intensity'] = root['intensity'] + plot.attrs['signal'] = 'intensity' + plot.attrs['axes'] = 'energy' + plot['energy'].attrs['units'] = 'eV' + plot['energy'].attrs['long_name'] = 'Energy (eV)' + plot['intensity'].attrs['long_name'] = 'Normalized mu(E)' + + names = {} + + # sample + sample = root['sample'] = nexus.NXsample() + for aname, value in meta['sample'].items(): + setattr(sample, aname, value) + if aname.lower() == 'name': + names['sample'] = value + sample['prep'] = 'unknown sample' + + + # process + kwargs = [] + for k, v in dat.callargs.pre_edge.items(): + if v is not None: + kwargs.append(f"{k}={v}") + + kwargs = ", ".join(kwargs) + + preline = f"pre_edge = {gformat(pre_offset, 12)} + {gformat(pre_slope, 12)}*energy" + if nvict != 0: + preline = f"({preline})*energy(-{dat.nvict})" + + proc = ["processing done with xraylarch version 0.9.80", + f" larch.xafs.pre_edge(data, {kwargs})", + "energy = col1 # column 1: energy (eV)", + "ifluor = col3 # column 3: fluorescence intensity", + "i0 = col4 # column 4: incident beam intensity", + "mu = iflour/i0 ", + f"edge_step = {gformat(dat.edge_step, 12)}", + preline, + "intensity = norm = (mu - pre_edge) /edge_step"] + + notes='\n'.join(proc) + + header = ['XDI/1.1', + 'Column.1: energy eV', 'Column.2: norm'] + collabel = ['energy ', 'norm '] + for i, label in enumerate(array_labels[2:]): + header.append(f'Column.{i+3}: {label}') + collabel.append(label + ' '*(1+max(1, 15-len(label)))) + + collabel = ' '.join(collabel) + + end_header = [] + target = header + for j in dat.header[4:]: + if j.startswith('#'): j = j[1:].strip() + if '---' in j: + break + if '///' in j: + target = end_header + if j.startswith('Mono.'): + j = j.replace('Mono.', 'Monochromator.') + if 'Monochromator.dspa' in j: + j = j.replace('dspacing', 'd_spacing') + + if not j.startswith('Column.'): + target.append(j) + + header.append('Process.program: xraylarch') + header.append('Process.version: 0.9.80') + header.append(f'Process.command: pre_edge(data, {kwargs})') + for i, p in enumerate(proc[2:]): + header.append(f"Process.step{i+1:d}: {p}") + for j in end_header: + if j.startswith('#'): + j = j[1:].strip() + header.append(j) + + root['process'] = nexus.NXprocess(program='xraylarch', version='0.9.80', + notes=notes) + + # rawdata + root['rawdata'] = np.array(coldata) + root['rawdata'].attrs['column_labels'] = json.dumps(array_labels) + root['rawdata'].attrs['data_collector'] = 'KEK PF BL9A' + root['rawdata'].attrs['filename'] = filename + + + # scan + scan = root['scan'] = nexus.NXcollection() + scan.headers = json.dumps(meta) + + if 'scan' in meta: + for key, val in meta['scan'].items(): + setattr(scan, key, val) + if getattr(dat, 'comments', None) is not None: + scan.comments = dat.comments + + + inst = root['instrument'] = nexus.NXinstrument() + + source = inst['source'] = nexus.NXsource(type='Synchrotron X-ray Source', + probe='x-ray') + + if 'facility' in meta: + for aname, value in meta['facility'].items(): + if aname.lower() == 'energy': + words = value.split(maxsplit=1) + en_value = float(words[0]) + source.energy = en_value + if len(words) > 1: + source.energy.attrs['units'] = words[1] + else: + setattr(source, aname, value) + if aname.lower() == 'name': + names['facility'] = value + + if 'beamline' in meta: + bl = inst['beamline'] = nexus.NXcollection() + for aname, value in meta['beamline'].items(): + setattr(bl, aname, value) + if aname.lower() == 'name': + names['beamline'] = value + + + title_words = [names.get('sample', filename), + names.get('facility', ''), + names.get('beamline', '')] + root['title'] = (' '.join(title_words)).strip() + + + # mono + mono_meta = meta.get('monochromator', meta.get('mono', {})) + d_spacing = mono_meta.get('d_spacing', 3.13551) + mono_name = mono_meta.get('name', 'Si 111') + + def parse_mono_string(mono_name): + mono_type = 'Si' + for k in ('()[]'): + mono_name = mono_name.replace(k, ' ') + for k in ('SiC', 'Si', 'Ge', 'C'): + mono_name = mono_name.replace(k, f'{k} ') + + words = mono_name.split(maxsplit=1) + if words[0] in ('SiC', 'Si', 'Ge', 'C'): + mono_type = words[0] + + try: + refl = words[1] + if len(refl) > 3: + refl = refl.replace(' ', ',').split(',') + else: + refl = (refl[0], refl[1], refl[2]) + + refl = [int(w.strip()) for w in refl] + except: + refl = (1, 1, 1) + return mono_type, refl + + mono_type, refl = parse_mono_string(mono_name) + mono_crystal = nexus.NXcrystal(type=mono_type, + reflection=np.array(refl), + d_spacing=d_spacing) + + inst['monochromator'] = nexus.NXmonochromator(energy=root['energy'], + crystal=mono_crystal) + + + inst['i0'] = nexus.NXdetector(data=dat.i0, description='Ion Chamber') + inst['ifluor'] = nexus.NXdetector(data=dat.ifluor, description='Ion Chamber') + + fpath = Path(filename) + outfile = fpath.stem + '_new' + fpath.suffix + + write_ascii(outfile, *coldata, header=header, label =collabel) + + print(f"done. Wrote group {entry_name} and file {outfile}") + + +################ + +metadata = {'sample': {'name': 'fe010'}, + 'element': {'symbol': 'Fe', 'edge': 'K'}, + 'monochromator': {'crystal': 'Si 111', 'd_spacing': 3.1551}, + 'facility': {'name': 'Photon Factory', 'beamline': 'BL9A'}, + 'detector': {'i0': '20 cm, He', + 'ifluor': 'Vortex ME-4'}, + } + +nxroot = nexus.nxopen('Fe_XAS_PF9A_nexus.h5', 'w') + +kekpf2nexus('PF9A_2022.dat', nxroot, entry_name='fe010', metadata=metadata) diff --git a/conversion_examples/MultiElementFluor/V_XANES_ap1.001 b/conversion_examples/MultiElementFluor/V_XANES_ap1.001 new file mode 100755 index 0000000..f82a93c --- /dev/null +++ b/conversion_examples/MultiElementFluor/V_XANES_ap1.001 @@ -0,0 +1,448 @@ +#XDI/1.1 Epics StepScan File / 2.0 +# Scan.start_time: 2018-11-27 07:01:20 +# Legend.Start: Column.N: Name units || EpicsPV +# Column.1: Energy eV || 13IDE:En:Energy.VAL +# Column.2: TSCALER counts || 13IDE:SIS1:mca1 +# Column.3: I0 counts || 13IDE:SIS1:mca2 +# Column.4: I1 counts || 13IDE:SIS1:mca3 +# Column.5: I2 counts || 13IDE:SIS1:mca4 +# Column.6: OutputCounts_mca1 counts || 13QX4:MCA1ROI:1:TSTotal +# Column.7: OutputCounts_mca2 counts || 13QX4:MCA2ROI:1:TSTotal +# Column.8: OutputCounts_mca3 counts || 13QX4:MCA3ROI:1:TSTotal +# Column.9: OutputCounts_mca4 counts || 13QX4:MCA4ROI:1:TSTotal +# Column.10: Ca_Ka_mca1 counts || 13QX4:MCA1ROI:7:TSTotal +# Column.11: Ca_Ka_mca2 counts || 13QX4:MCA2ROI:7:TSTotal +# Column.12: Ca_Ka_mca3 counts || 13QX4:MCA3ROI:7:TSTotal +# Column.13: Ca_Ka_mca4 counts || 13QX4:MCA4ROI:7:TSTotal +# Column.14: V_Ka_mca1 counts || 13QX4:MCA1ROI:10:TSTotal +# Column.15: V_Ka_mca2 counts || 13QX4:MCA2ROI:10:TSTotal +# Column.16: V_Ka_mca3 counts || 13QX4:MCA3ROI:10:TSTotal +# Column.17: V_Ka_mca4 counts || 13QX4:MCA4ROI:10:TSTotal +# Column.18: Clock_mca1 counts || 13QX4:C1SCA0:TSArrayValue +# Column.19: Clock_mca2 counts || 13QX4:C2SCA0:TSArrayValue +# Column.20: Clock_mca3 counts || 13QX4:C3SCA0:TSArrayValue +# Column.21: Clock_mca4 counts || 13QX4:C4SCA0:TSArrayValue +# Column.22: DTFactor_mca1 counts || 13QX4:C1SCA8:TSArrayValue +# Column.23: DTFactor_mca2 counts || 13QX4:C2SCA8:TSArrayValue +# Column.24: DTFactor_mca3 counts || 13QX4:C3SCA8:TSArrayValue +# Column.25: DTFactor_mca4 counts || 13QX4:C4SCA8:TSArrayValue +# Legend.End: here +# Scan.end_time: 2018-11-27 07:04:27 +# ExtraPVs.Start: Family.Member: Value | PV +# Beamline.FOE_Slit_HPos: 0.0250 || 13IDA:m5.VAL +# Beamline.FOE_Slit_HWid: 0.8000 || 13IDA:m6.VAL +# Beamline.FOE_Slit_VPos: -0.1250 || 13IDA:m7.VAL +# Beamline.FOE_Slit_VWid: 0.2500 || 13IDA:m8.VAL +# Beamline.FluxEstimate: 1.313e+12 || 13XRM:ION:FluxOut.VAL +# Beamline.I0_Sensitivity_Number: 100 || 13IDE:A1sens_num.VAL +# Beamline.I0_Sensitivity_Unit: nA/V || 13IDE:A1sens_unit.VAL +# Beamline.I1_Sensitivity_Number: 200 || 13IDE:A2sens_num.VAL +# Beamline.I1_Sensitivity_Unit: nA/V || 13IDE:A2sens_unit.VAL +# Beamline.I2_Sensitivity_Number: 20 || 13IDE:A3sens_num.VAL +# Beamline.I2_Sensitivity_Unit: nA/V || 13IDE:A3sens_unit.VAL +# Beamline.SSA_Slit_HPos: 0 || 13IDA:m69.VAL +# Beamline.SSA_Slit_HWid: 0.0500 || 13IDA:m70.VAL +# Beamline.SSA_Slit_VPos: 0.7500 || 13IDA:m71.VAL +# Beamline.SSA_Slit_VWid: 0.3000 || 13IDA:m72.VAL +# DetectorStage.X: 15380.0 || 13IDE:m34.VAL +# DetectorStage.Y: 291.740 || 13IDE:m4.VAL +# DetectorStage.Z: 125.0000 || 13IDE:m19.VAL +# Facility.Ring_Current: 87.1 || S:SRcurrentAI.VAL +# Facility.Ring_Lifetime: 72.2 || S:SRlifeTimeHrsCC.VAL +# Mono.dspacing: 3.13477 || 13IDE:En:dspace.VAL +# Mono.height: 24.90000 || 13IDE:En:height.VAL +# Mono.theta_offset: 17.54913 || 13IDA:m65.OFF +# Mono.xtal2_pitch: -0.1160 || 13IDA:m67.VAL +# Mono.xtal2_rol: 1.0400 || 13IDA:m68.VAL +# Mono.xtal2_y: 13.3075 || 13IDA:m66.VAL +# Mono.xtal2_y_off: 11.6000 || 13IDA:m66.OFF +# SampleStage.CoarseX: 130.7285 || 13XRM:m4.VAL +# SampleStage.CoarseY: 89.3002 || 13XRM:m5.VAL +# SampleStage.CoarseZ: 211.0609 || 13XRM:m6.VAL +# SampleStage.FineX: 0.18404 || 13XRM:m1.VAL +# SampleStage.FineY: 0.42800 || 13XRM:m2.VAL +# SampleStage.Theta: 0 || 13XRM:m3.VAL +# Undulator.Energy: 5.760 || ID13us:Energy.VAL +# Mono.Energy: 5599.50000 || 13IDE:En:Energy.VAL +# ExtraPVs.End: here +# ScanParameters.Start: Scan.Member: Value +# ScanParameters.ScanType: xafs +# ScanParameters.element: V +# ScanParameters.edge: K +# ScanParameters.E0: 5465.000 +# ScanParameters.Legend: Start, Stop, Step, K-space, Time +# ScanParameters.Region1: -100.000, -10.000, 2.500 False 0.50 +# ScanParameters.Region2: -10.000, 25.008, 0.150 False 0.50 +# ScanParameters.Region3: 2.562, 8.500, 0.060 True 0.50 +# ScanParameters.End: here +# /// Users Comments /// +# +# ------------------------ +# Energy TSCALER I0 I1 I2 OutputCounts_mca1 OutputCounts_mca2 OutputCounts_mca3 OutputCounts_mca4 Ca_Ka_mca1 Ca_Ka_mca2 Ca_Ka_mca3 Ca_Ka_mca4 V_Ka_mca1 V_Ka_mca2 V_Ka_mca3 V_Ka_mca4 Clock_mca1 Clock_mca2 Clock_mca3 Clock_mca4 DTFactor_mca1 DTFactor_mca2 DTFactor_mca3 DTFactor_mca4 + 5365.013534 24999429.000000 10050161.000000 47280.000000 373.000000 269548.000000 87397.000000 102190.000000 139243.000000 185708.000000 58088.000000 67423.000000 92974.000000 296.000000 354.000000 246.000000 337.000000 39994326.000000 39994326.000000 39994326.000000 39994326.000000 1.016684 1.014037 1.018959 1.022808 + 5367.512019 24999316.000000 9937717.000000 47296.000000 374.000000 100511.000000 86235.000000 100887.000000 137737.000000 69108.000000 57353.000000 66686.000000 92045.000000 85.000000 343.000000 262.000000 304.000000 39994146.000000 39994146.000000 39994146.000000 39994146.000000 1.016530 1.013852 1.018717 1.022566 + 5370.019331 24999567.000000 9843452.000000 47278.000000 374.000000 99581.000000 85330.000000 100588.000000 136891.000000 68710.000000 56662.000000 66144.000000 91223.000000 107.000000 342.000000 266.000000 315.000000 39994547.000000 39994547.000000 39994547.000000 39994547.000000 1.016392 1.013703 1.018657 1.022414 + 5372.520138 24999364.000000 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99119.000000 86830.000000 102279.000000 139387.000000 68584.000000 57531.000000 67107.000000 92892.000000 103.000000 350.000000 283.000000 334.000000 39994577.000000 39994577.000000 39994577.000000 39994577.000000 1.016785 1.013952 1.018983 1.022845 + 5382.519515 24999279.000000 9961133.000000 47245.000000 374.000000 101107.000000 86726.000000 101558.000000 138199.000000 69773.000000 57559.000000 66713.000000 91734.000000 93.000000 345.000000 265.000000 351.000000 39994086.000000 39994086.000000 39994086.000000 39994086.000000 1.016637 1.013930 1.018840 1.022638 + 5385.018371 24999460.000000 9976959.000000 47214.000000 374.000000 100255.000000 86777.000000 101015.000000 139243.000000 69139.000000 57326.000000 66387.000000 92722.000000 105.000000 380.000000 308.000000 310.000000 39994376.000000 39994376.000000 39994376.000000 39994376.000000 1.016640 1.013937 1.018739 1.022804 + 5387.516094 24999399.000000 10124046.000000 47251.000000 373.000000 100268.000000 88383.000000 103128.000000 140871.000000 69096.000000 58649.000000 67923.000000 93663.000000 103.000000 362.000000 273.000000 339.000000 39994278.000000 39994278.000000 39994278.000000 39994278.000000 1.016855 1.014202 1.019141 1.023091 + 5390.016316 24999502.000000 10036400.000000 47250.000000 374.000000 101473.000000 87607.000000 102332.000000 140129.000000 70186.000000 58165.000000 67158.000000 93030.000000 101.000000 359.000000 260.000000 350.000000 39994443.000000 39994443.000000 39994443.000000 39994443.000000 1.016754 1.014075 1.018990 1.022961 + 5392.517219 24999393.000000 10093074.000000 47189.000000 374.000000 100900.000000 88022.000000 102697.000000 140141.000000 69621.000000 58577.000000 67764.000000 93163.000000 120.000000 401.000000 274.000000 356.000000 39994268.000000 39994268.000000 39994268.000000 39994268.000000 1.016807 1.014137 1.019054 1.022957 + 5395.016979 24999304.000000 10131087.000000 47246.000000 373.000000 101257.000000 88349.000000 102950.000000 141249.000000 69740.000000 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113.000000 378.000000 279.000000 316.000000 39993702.000000 39993702.000000 39993702.000000 39993702.000000 1.016537 1.013846 1.018722 1.022627 + 5405.021826 24999772.000000 9911459.000000 47213.000000 373.000000 99644.000000 86150.000000 101198.000000 138162.000000 68718.000000 57089.000000 66487.000000 92008.000000 117.000000 336.000000 259.000000 328.000000 39994875.000000 39994875.000000 39994875.000000 39994875.000000 1.016566 1.013844 1.018779 1.022644 + 5407.522189 24999153.000000 9795319.000000 47245.000000 374.000000 99739.000000 85328.000000 99840.000000 136579.000000 68863.000000 56382.000000 65909.000000 91020.000000 102.000000 349.000000 273.000000 353.000000 39993884.000000 39993884.000000 39993884.000000 39993884.000000 1.016340 1.013700 1.018515 1.022359 + 5410.019544 24999766.000000 9862120.000000 47277.000000 374.000000 98488.000000 85636.000000 100312.000000 137890.000000 67841.000000 56842.000000 65999.000000 91556.000000 101.000000 363.000000 269.000000 326.000000 39994865.000000 39994865.000000 39994865.000000 39994865.000000 1.016543 1.013756 1.018608 1.022584 + 5412.519385 24998997.000000 10008674.000000 47272.000000 374.000000 99689.000000 87404.000000 101331.000000 140258.000000 68473.000000 57942.000000 66513.000000 93448.000000 110.000000 360.000000 282.000000 319.000000 39993635.000000 39993635.000000 39993635.000000 39993635.000000 1.016807 1.014045 1.018808 1.022988 + 5415.023553 24999345.000000 9986971.000000 47325.000000 373.000000 101200.000000 86955.000000 102181.000000 139110.000000 69908.000000 57720.000000 67408.000000 92124.000000 98.000000 401.000000 261.000000 359.000000 39994192.000000 39994192.000000 39994192.000000 39994192.000000 1.016669 1.013968 1.018958 1.022788 + 5417.523780 24999502.000000 10006292.000000 47216.000000 374.000000 100422.000000 86929.000000 101502.000000 139311.000000 69425.000000 57580.000000 66811.000000 92586.000000 128.000000 395.000000 317.000000 330.000000 39994443.000000 39994443.000000 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1.013831 1.018605 1.022477 + 5427.521900 24999208.000000 9884913.000000 47262.000000 374.000000 99376.000000 86529.000000 100786.000000 138015.000000 68589.000000 57406.000000 66662.000000 92208.000000 109.000000 409.000000 287.000000 341.000000 39993973.000000 39993973.000000 39993973.000000 39993973.000000 1.016451 1.013897 1.018697 1.022602 + 5430.023482 24999189.000000 9848275.000000 47256.000000 373.000000 99090.000000 86116.000000 101017.000000 138096.000000 68416.000000 56688.000000 66495.000000 91821.000000 120.000000 396.000000 278.000000 340.000000 39993943.000000 39993943.000000 39993943.000000 39993943.000000 1.016511 1.013832 1.018738 1.022616 + 5432.521998 24999489.000000 9830863.000000 47289.000000 374.000000 99472.000000 85977.000000 100563.000000 137542.000000 68183.000000 57281.000000 66055.000000 91597.000000 141.000000 393.000000 298.000000 370.000000 39994422.000000 39994422.000000 39994422.000000 39994422.000000 1.016425 1.013807 1.018652 1.022521 + 5435.022063 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39994460.000000 39994460.000000 39994460.000000 1.015971 1.012927 1.017083 1.033966 diff --git a/conversion_examples/MultiElementFluor/V_XANES_ap10.001 b/conversion_examples/MultiElementFluor/V_XANES_ap10.001 new file mode 100755 index 0000000..1ace355 --- /dev/null +++ b/conversion_examples/MultiElementFluor/V_XANES_ap10.001 @@ -0,0 +1,448 @@ +#XDI/1.1 Epics StepScan File / 2.0 +# Scan.start_time: 2018-11-27 07:31:34 +# Legend.Start: Column.N: Name units || EpicsPV +# Column.1: Energy eV || 13IDE:En:Energy.VAL +# Column.2: TSCALER counts || 13IDE:SIS1:mca1 +# Column.3: I0 counts || 13IDE:SIS1:mca2 +# Column.4: I1 counts || 13IDE:SIS1:mca3 +# Column.5: I2 counts || 13IDE:SIS1:mca4 +# Column.6: OutputCounts_mca1 counts || 13QX4:MCA1ROI:1:TSTotal +# Column.7: OutputCounts_mca2 counts || 13QX4:MCA2ROI:1:TSTotal +# Column.8: OutputCounts_mca3 counts || 13QX4:MCA3ROI:1:TSTotal +# Column.9: OutputCounts_mca4 counts || 13QX4:MCA4ROI:1:TSTotal +# Column.10: Ca_Ka_mca1 counts || 13QX4:MCA1ROI:7:TSTotal +# Column.11: Ca_Ka_mca2 counts || 13QX4:MCA2ROI:7:TSTotal +# Column.12: Ca_Ka_mca3 counts || 13QX4:MCA3ROI:7:TSTotal +# Column.13: Ca_Ka_mca4 counts || 13QX4:MCA4ROI:7:TSTotal +# Column.14: V_Ka_mca1 counts || 13QX4:MCA1ROI:10:TSTotal +# Column.15: V_Ka_mca2 counts || 13QX4:MCA2ROI:10:TSTotal +# Column.16: V_Ka_mca3 counts || 13QX4:MCA3ROI:10:TSTotal +# Column.17: V_Ka_mca4 counts || 13QX4:MCA4ROI:10:TSTotal +# Column.18: Clock_mca1 counts || 13QX4:C1SCA0:TSArrayValue +# Column.19: Clock_mca2 counts || 13QX4:C2SCA0:TSArrayValue +# Column.20: Clock_mca3 counts || 13QX4:C3SCA0:TSArrayValue +# Column.21: Clock_mca4 counts || 13QX4:C4SCA0:TSArrayValue +# Column.22: DTFactor_mca1 counts || 13QX4:C1SCA8:TSArrayValue +# Column.23: DTFactor_mca2 counts || 13QX4:C2SCA8:TSArrayValue +# Column.24: DTFactor_mca3 counts || 13QX4:C3SCA8:TSArrayValue +# Column.25: DTFactor_mca4 counts || 13QX4:C4SCA8:TSArrayValue +# Legend.End: here +# Scan.end_time: 2018-11-27 07:34:40 +# ExtraPVs.Start: Family.Member: Value | PV +# Beamline.FOE_Slit_HPos: 0.0250 || 13IDA:m5.VAL +# Beamline.FOE_Slit_HWid: 0.8000 || 13IDA:m6.VAL +# Beamline.FOE_Slit_VPos: -0.1250 || 13IDA:m7.VAL +# Beamline.FOE_Slit_VWid: 0.2500 || 13IDA:m8.VAL +# Beamline.FluxEstimate: 1.467e+12 || 13XRM:ION:FluxOut.VAL +# Beamline.I0_Sensitivity_Number: 100 || 13IDE:A1sens_num.VAL +# Beamline.I0_Sensitivity_Unit: nA/V || 13IDE:A1sens_unit.VAL +# Beamline.I1_Sensitivity_Number: 200 || 13IDE:A2sens_num.VAL +# Beamline.I1_Sensitivity_Unit: nA/V || 13IDE:A2sens_unit.VAL +# Beamline.I2_Sensitivity_Number: 20 || 13IDE:A3sens_num.VAL +# Beamline.I2_Sensitivity_Unit: nA/V || 13IDE:A3sens_unit.VAL +# Beamline.SSA_Slit_HPos: 0 || 13IDA:m69.VAL +# Beamline.SSA_Slit_HWid: 0.0500 || 13IDA:m70.VAL +# Beamline.SSA_Slit_VPos: 0.7500 || 13IDA:m71.VAL +# Beamline.SSA_Slit_VWid: 0.3000 || 13IDA:m72.VAL +# DetectorStage.X: 15380.0 || 13IDE:m34.VAL +# DetectorStage.Y: 291.740 || 13IDE:m4.VAL +# DetectorStage.Z: 125.0000 || 13IDE:m19.VAL +# Facility.Ring_Current: 86.5 || S:SRcurrentAI.VAL +# Facility.Ring_Lifetime: 73.3 || S:SRlifeTimeHrsCC.VAL +# Mono.dspacing: 3.13477 || 13IDE:En:dspace.VAL +# Mono.height: 24.90000 || 13IDE:En:height.VAL +# Mono.theta_offset: 17.54913 || 13IDA:m65.OFF +# Mono.xtal2_pitch: -0.1160 || 13IDA:m67.VAL +# Mono.xtal2_rol: 1.0400 || 13IDA:m68.VAL +# Mono.xtal2_y: 13.3075 || 13IDA:m66.VAL +# Mono.xtal2_y_off: 11.6000 || 13IDA:m66.OFF +# SampleStage.CoarseX: 130.7285 || 13XRM:m4.VAL +# SampleStage.CoarseY: 89.3002 || 13XRM:m5.VAL +# SampleStage.CoarseZ: 211.0609 || 13XRM:m6.VAL +# SampleStage.FineX: -0.15999 || 13XRM:m1.VAL +# SampleStage.FineY: -0.14400 || 13XRM:m2.VAL +# SampleStage.Theta: 0 || 13XRM:m3.VAL +# Undulator.Energy: 5.801 || ID13us:Energy.VAL +# Mono.Energy: 5599.50000 || 13IDE:En:Energy.VAL +# ExtraPVs.End: here +# ScanParameters.Start: Scan.Member: Value +# ScanParameters.ScanType: xafs +# ScanParameters.element: V +# ScanParameters.edge: K +# ScanParameters.E0: 5465.000 +# ScanParameters.Legend: Start, Stop, Step, K-space, Time +# ScanParameters.Region1: -100.000, -10.000, 2.500 False 0.50 +# ScanParameters.Region2: -10.000, 25.008, 0.150 False 0.50 +# ScanParameters.Region3: 2.562, 8.500, 0.060 True 0.50 +# ScanParameters.End: here +# /// Users Comments /// +# +# ------------------------ +# Energy TSCALER I0 I1 I2 OutputCounts_mca1 OutputCounts_mca2 OutputCounts_mca3 OutputCounts_mca4 Ca_Ka_mca1 Ca_Ka_mca2 Ca_Ka_mca3 Ca_Ka_mca4 V_Ka_mca1 V_Ka_mca2 V_Ka_mca3 V_Ka_mca4 Clock_mca1 Clock_mca2 Clock_mca3 Clock_mca4 DTFactor_mca1 DTFactor_mca2 DTFactor_mca3 DTFactor_mca4 + 5365.016235 24999424.000000 10530247.000000 46711.000000 375.000000 107376.000000 94166.000000 107826.000000 144060.000000 74034.000000 62503.000000 70964.000000 95979.000000 116.000000 369.000000 296.000000 294.000000 39994318.000000 39994318.000000 39994318.000000 39994318.000000 1.017827 1.015132 1.020027 1.023647 + 5367.512920 24999423.000000 10332733.000000 46697.000000 374.000000 105463.000000 92398.000000 105472.000000 141343.000000 72869.000000 61246.000000 69606.000000 94578.000000 92.000000 364.000000 267.000000 320.000000 39994316.000000 39994316.000000 39994316.000000 39994316.000000 1.017509 1.014848 1.019586 1.023200 + 5370.017526 24999478.000000 10217316.000000 46803.000000 375.000000 103642.000000 90757.000000 104954.000000 140171.000000 71369.000000 60307.000000 69329.000000 93557.000000 90.000000 372.000000 268.000000 339.000000 39994404.000000 39994404.000000 39994404.000000 39994404.000000 1.017204 1.014580 1.019482 1.022990 + 5372.517429 24999370.000000 10215273.000000 46817.000000 374.000000 104101.000000 90810.000000 104675.000000 139998.000000 71740.000000 60563.000000 69076.000000 93307.000000 105.000000 360.000000 269.000000 323.000000 39994231.000000 39994231.000000 39994231.000000 39994231.000000 1.017275 1.014587 1.019430 1.022963 + 5375.018938 24999291.000000 10119545.000000 46737.000000 375.000000 103543.000000 90187.000000 103901.000000 138190.000000 71470.000000 59883.000000 68734.000000 92428.000000 87.000000 360.000000 268.000000 321.000000 39994105.000000 39994105.000000 39994105.000000 39994105.000000 1.017188 1.014491 1.019288 1.022676 + 5377.517530 24999952.000000 10289070.000000 46729.000000 374.000000 105071.000000 91909.000000 105101.000000 141151.000000 72606.000000 60765.000000 69335.000000 94004.000000 101.000000 404.000000 271.000000 293.000000 39995162.000000 39995162.000000 39995162.000000 39995162.000000 1.017438 1.014766 1.019512 1.023157 + 5380.018628 24998914.000000 10386898.000000 46644.000000 374.000000 105402.000000 92119.000000 106795.000000 142684.000000 72651.000000 61305.000000 70477.000000 95175.000000 101.000000 364.000000 286.000000 295.000000 39993501.000000 39993501.000000 39993501.000000 39993501.000000 1.017493 1.014798 1.019826 1.023400 + 5382.519515 24999495.000000 10286439.000000 46696.000000 375.000000 104781.000000 91355.000000 105148.000000 141027.000000 72197.000000 60861.000000 69360.000000 94041.000000 87.000000 363.000000 262.000000 344.000000 39994431.000000 39994431.000000 39994431.000000 39994431.000000 1.017388 1.014676 1.019520 1.023132 + 5385.017463 24999406.000000 10430251.000000 46727.000000 374.000000 106302.000000 92964.000000 107413.000000 142506.000000 73469.000000 61673.000000 70862.000000 94984.000000 110.000000 367.000000 275.000000 341.000000 39994289.000000 39994289.000000 39994289.000000 39994289.000000 1.017642 1.014935 1.019944 1.023383 + 5387.517003 24999382.000000 10533574.000000 46701.000000 374.000000 107243.000000 93318.000000 108812.000000 143330.000000 73865.000000 62093.000000 72025.000000 95396.000000 94.000000 381.000000 312.000000 334.000000 39994250.000000 39994250.000000 39994250.000000 39994250.000000 1.017803 1.014997 1.020209 1.023527 + 5390.018135 24999399.000000 10539643.000000 46699.000000 374.000000 107685.000000 93575.000000 108017.000000 144203.000000 74222.000000 62059.000000 71530.000000 95928.000000 106.000000 378.000000 284.000000 316.000000 39994277.000000 39994277.000000 39994277.000000 39994277.000000 1.017883 1.015041 1.020064 1.023675 + 5392.519040 24999700.000000 10617632.000000 46725.000000 375.000000 108336.000000 93780.000000 108388.000000 144681.000000 74522.000000 62307.000000 71412.000000 96396.000000 122.000000 390.000000 295.000000 308.000000 39994759.000000 39994759.000000 39994759.000000 39994759.000000 1.017990 1.015076 1.020135 1.023757 + 5395.018802 24999058.000000 10595013.000000 46688.000000 374.000000 108473.000000 94264.000000 107910.000000 144537.000000 74584.000000 62587.000000 70858.000000 96038.000000 119.000000 393.000000 297.000000 344.000000 39993733.000000 39993733.000000 39993733.000000 39993733.000000 1.018010 1.015152 1.020047 1.023734 + 5397.520150 24999909.000000 10465296.000000 46715.000000 374.000000 106446.000000 93330.000000 107307.000000 143742.000000 73406.000000 61764.000000 70366.000000 95838.000000 95.000000 371.000000 286.000000 331.000000 39995094.000000 39995094.000000 39995094.000000 39995094.000000 1.017677 1.014998 1.019929 1.023590 + 5400.021259 24999010.000000 10461687.000000 46771.000000 375.000000 106408.000000 93393.000000 107108.000000 142467.000000 73473.000000 61854.000000 70431.000000 94619.000000 95.000000 429.000000 324.000000 329.000000 39993656.000000 39993656.000000 39993656.000000 39993656.000000 1.017671 1.015010 1.019893 1.023390 + 5402.523039 24999448.000000 10414440.000000 46687.000000 374.000000 105813.000000 93350.000000 106758.000000 143004.000000 73079.000000 61822.000000 70475.000000 95356.000000 86.000000 352.000000 279.000000 330.000000 39994357.000000 39994357.000000 39994357.000000 39994357.000000 1.017571 1.014999 1.019824 1.023469 + 5405.024572 24999351.000000 10369497.000000 46697.000000 374.000000 105762.000000 92508.000000 107121.000000 141934.000000 73059.000000 61419.000000 70742.000000 94379.000000 107.000000 402.000000 315.000000 325.000000 39994201.000000 39994201.000000 39994201.000000 39994201.000000 1.017554 1.014862 1.019890 1.023287 + 5407.522189 24999742.000000 10386436.000000 46646.000000 375.000000 105797.000000 92424.000000 106285.000000 142458.000000 72966.000000 61636.000000 69968.000000 95014.000000 96.000000 396.000000 296.000000 312.000000 39994827.000000 39994827.000000 39994827.000000 39994827.000000 1.017564 1.014850 1.019736 1.023376 + 5410.020461 24999616.000000 10368315.000000 46678.000000 374.000000 105954.000000 92608.000000 106074.000000 141599.000000 73123.000000 61497.000000 69719.000000 94439.000000 96.000000 365.000000 300.000000 326.000000 39994625.000000 39994625.000000 39994625.000000 39994625.000000 1.017587 1.014880 1.019697 1.023239 + 5412.521221 24998799.000000 10378426.000000 46663.000000 374.000000 106100.000000 92968.000000 106560.000000 141924.000000 73022.000000 61465.000000 70249.000000 94315.000000 102.000000 411.000000 282.000000 298.000000 39993319.000000 39993319.000000 39993319.000000 39993319.000000 1.017615 1.014939 1.019789 1.023295 + 5415.022634 24999586.000000 10380916.000000 46683.000000 375.000000 106669.000000 92607.000000 106447.000000 142492.000000 73472.000000 61425.000000 70160.000000 94801.000000 95.000000 379.000000 248.000000 337.000000 39994577.000000 39994577.000000 39994577.000000 39994577.000000 1.017711 1.014885 1.019770 1.023393 + 5417.522860 24999399.000000 10477904.000000 46741.000000 374.000000 107359.000000 93273.000000 108103.000000 143267.000000 73892.000000 62037.000000 71144.000000 95287.000000 102.000000 382.000000 279.000000 315.000000 39994278.000000 39994278.000000 39994278.000000 39994278.000000 1.017824 1.014992 1.020080 1.023522 + 5420.020971 24999286.000000 10511782.000000 46690.000000 374.000000 106498.000000 93764.000000 107771.000000 144420.000000 73426.000000 62163.000000 70825.000000 96116.000000 108.000000 396.000000 308.000000 351.000000 39994097.000000 39994097.000000 39994097.000000 39994097.000000 1.017686 1.015067 1.020016 1.023699 + 5422.522485 24999447.000000 10457718.000000 46761.000000 374.000000 106312.000000 93826.000000 107068.000000 143230.000000 73243.000000 62429.000000 70336.000000 95291.000000 125.000000 392.000000 281.000000 353.000000 39994355.000000 39994355.000000 39994355.000000 39994355.000000 1.017655 1.015077 1.019885 1.023510 + 5425.023720 24999322.000000 10515233.000000 46701.000000 375.000000 107992.000000 93749.000000 108560.000000 144202.000000 74297.000000 62002.000000 71618.000000 95817.000000 107.000000 405.000000 295.000000 341.000000 39994154.000000 39994154.000000 39994154.000000 39994154.000000 1.017930 1.015068 1.020165 1.023674 + 5427.521900 24999460.000000 10439488.000000 46701.000000 374.000000 106794.000000 93271.000000 107543.000000 142996.000000 73527.000000 61857.000000 70854.000000 94941.000000 100.000000 403.000000 282.000000 366.000000 39994375.000000 39994375.000000 39994375.000000 39994375.000000 1.017726 1.014987 1.019970 1.023468 + 5430.021634 24999459.000000 10398964.000000 46696.000000 375.000000 105655.000000 93435.000000 106785.000000 141919.000000 72844.000000 61980.000000 70320.000000 94202.000000 95.000000 373.000000 298.000000 299.000000 39994374.000000 39994374.000000 39994374.000000 39994374.000000 1.017545 1.015013 1.019831 1.023296 + 5432.522923 24999388.000000 10415590.000000 46695.000000 374.000000 106255.000000 93568.000000 107612.000000 142894.000000 73151.000000 61896.000000 71169.000000 95222.000000 96.000000 368.000000 294.000000 336.000000 39994260.000000 39994260.000000 39994260.000000 39994260.000000 1.017646 1.015036 1.019985 1.023456 + 5435.023916 24999495.000000 10335281.000000 46673.000000 374.000000 106103.000000 92230.000000 105948.000000 141742.000000 72986.000000 61247.000000 69920.000000 94204.000000 128.000000 396.000000 291.000000 350.000000 39994432.000000 39994432.000000 39994432.000000 39994432.000000 1.017607 1.014818 1.019671 1.023257 + 5437.522753 24999292.000000 10261025.000000 46723.000000 375.000000 104824.000000 91042.000000 104999.000000 140802.000000 72273.000000 60338.000000 69329.000000 93600.000000 91.000000 366.000000 263.000000 324.000000 39994106.000000 39994106.000000 39994106.000000 39994106.000000 1.017396 1.014626 1.019492 1.023097 + 5440.023137 24999429.000000 10290105.000000 46776.000000 374.000000 105309.000000 91914.000000 105644.000000 140814.000000 73034.000000 60716.000000 69604.000000 93892.000000 132.000000 373.000000 288.000000 319.000000 39994326.000000 39994326.000000 39994326.000000 39994326.000000 1.017475 1.014767 1.019613 1.023104 + 5442.522281 24999388.000000 10139056.000000 46873.000000 374.000000 103537.000000 90926.000000 104444.000000 138709.000000 71325.000000 60369.000000 69052.000000 92549.000000 98.000000 371.000000 253.000000 332.000000 39994260.000000 39994260.000000 39994260.000000 39994260.000000 1.017178 1.014603 1.019384 1.022748 + 5445.022038 24999382.000000 10129993.000000 46734.000000 374.000000 103944.000000 90093.000000 103827.000000 139236.000000 71579.000000 59807.000000 68645.000000 92916.000000 123.000000 420.000000 295.000000 343.000000 39994251.000000 39994251.000000 39994251.000000 39994251.000000 1.017242 1.014471 1.019270 1.022832 + 5447.524267 24999442.000000 10151715.000000 46867.000000 375.000000 103868.000000 91123.000000 103809.000000 139291.000000 71423.000000 60336.000000 68286.000000 92987.000000 148.000000 366.000000 300.000000 327.000000 39994346.000000 39994346.000000 39994346.000000 39994346.000000 1.017234 1.014636 1.019267 1.022845 + 5450.022451 24999453.000000 10078074.000000 46940.000000 374.000000 103401.000000 90232.000000 103471.000000 137614.000000 71496.000000 60058.000000 68200.000000 91600.000000 146.000000 360.000000 307.000000 344.000000 39994364.000000 39994364.000000 39994364.000000 39994364.000000 1.017149 1.014490 1.019201 1.022567 + 5452.375771 24999304.000000 10093494.000000 46978.000000 374.000000 103284.000000 90391.000000 103414.000000 138535.000000 71358.000000 60118.000000 68173.000000 91842.000000 126.000000 410.000000 275.000000 372.000000 39994126.000000 39994126.000000 39994126.000000 39994126.000000 1.017135 1.014517 1.019194 1.022722 + 5454.139630 24999837.000000 10101454.000000 47027.000000 374.000000 103531.000000 90288.000000 103689.000000 138746.000000 71305.000000 59612.000000 68328.000000 92362.000000 129.000000 402.000000 292.000000 349.000000 39994978.000000 39994978.000000 39994978.000000 39994978.000000 1.017179 1.014503 1.019245 1.022757 + 5455.023421 24999046.000000 10076303.000000 46725.000000 374.000000 102557.000000 90551.000000 104138.000000 138117.000000 70714.000000 60377.000000 68611.000000 92044.000000 136.000000 412.000000 289.000000 361.000000 39993713.000000 39993713.000000 39993713.000000 39993713.000000 1.017013 1.014540 1.019323 1.022644 + 5455.325865 24999634.000000 10083880.000000 46661.000000 375.000000 103154.000000 89833.000000 103649.000000 137769.000000 71059.000000 59568.000000 68105.000000 91866.000000 127.000000 380.000000 313.000000 362.000000 39994654.000000 39994654.000000 39994654.000000 39994654.000000 1.017120 1.014433 1.019239 1.022604 + 5455.478968 24999129.000000 10114046.000000 46725.000000 374.000000 103356.000000 90780.000000 103441.000000 138622.000000 71157.000000 60296.000000 68193.000000 92137.000000 139.000000 375.000000 305.000000 378.000000 39993846.000000 39993846.000000 39993846.000000 39993846.000000 1.017151 1.014582 1.019200 1.022740 + 5455.628346 24999406.000000 10125231.000000 46619.000000 374.000000 103767.000000 90997.000000 103707.000000 138964.000000 71224.000000 60447.000000 68536.000000 92524.000000 132.000000 401.000000 308.000000 391.000000 39994289.000000 39994289.000000 39994289.000000 39994289.000000 1.017211 1.014612 1.019246 1.022787 + 5455.778666 24999892.000000 10189794.000000 46677.000000 374.000000 103931.000000 91087.000000 104230.000000 139171.000000 71683.000000 60328.000000 68834.000000 92812.000000 123.000000 419.000000 314.000000 377.000000 39995067.000000 39995067.000000 39995067.000000 39995067.000000 1.017248 1.014633 1.019348 1.022832 + 5455.929929 24999051.000000 10158126.000000 46644.000000 375.000000 104329.000000 90456.000000 104208.000000 138500.000000 71928.000000 60171.000000 68418.000000 92089.000000 149.000000 411.000000 283.000000 382.000000 39993721.000000 39993721.000000 39993721.000000 39993721.000000 1.017316 1.014535 1.019348 1.022731 + 5456.080267 24999382.000000 10175592.000000 46669.000000 374.000000 103877.000000 91091.000000 103866.000000 139683.000000 71577.000000 60127.000000 68450.000000 92874.000000 133.000000 421.000000 324.000000 353.000000 39994251.000000 39994251.000000 39994251.000000 39994251.000000 1.017239 1.014632 1.019281 1.022913 + 5456.229680 24999352.000000 10167510.000000 46645.000000 374.000000 103798.000000 90735.000000 103819.000000 139323.000000 71496.000000 60245.000000 68479.000000 92745.000000 134.000000 374.000000 336.000000 358.000000 39994202.000000 39994202.000000 39994202.000000 39994202.000000 1.017232 1.014579 1.019274 1.022861 + 5456.380036 24999465.000000 10227084.000000 46687.000000 374.000000 104248.000000 92030.000000 104729.000000 140098.000000 71862.000000 61061.000000 69273.000000 93633.000000 141.000000 430.000000 344.000000 374.000000 39994383.000000 39994383.000000 39994383.000000 39994383.000000 1.017303 1.014783 1.019442 1.022985 + 5456.532268 24999364.000000 10197007.000000 46673.000000 374.000000 104305.000000 91311.000000 104593.000000 139477.000000 71842.000000 60473.000000 69013.000000 92774.000000 156.000000 447.000000 332.000000 361.000000 39994221.000000 39994221.000000 39994221.000000 39994221.000000 1.017306 1.014666 1.019414 1.022878 + 5456.683576 24999418.000000 10215177.000000 46829.000000 375.000000 104482.000000 91272.000000 104769.000000 140084.000000 72112.000000 60561.000000 69029.000000 93267.000000 171.000000 395.000000 314.000000 401.000000 39994308.000000 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@@ -0,0 +1,460 @@ +# XDI/1.1 +# Column.1: energy eV +# Column.2: norm +# Column.3: ifluor +# Column.4: i0 +# Column.5: tscaler +# Column.6: i1 +# Column.7: i2 +# Column.8: outputcounts_mca1 +# Column.9: outputcounts_mca2 +# Column.10: outputcounts_mca3 +# Column.11: outputcounts_mca4 +# Column.12: ca_ka_mca1 +# Column.13: ca_ka_mca2 +# Column.14: ca_ka_mca3 +# Column.15: ca_ka_mca4 +# Column.16: v_ka_mca1 +# Column.17: v_ka_mca2 +# Column.18: v_ka_mca3 +# Column.19: v_ka_mca4 +# Column.20: clock_mca1 +# Column.21: clock_mca2 +# Column.22: clock_mca3 +# Column.23: clock_mca4 +# Column.24: dtfactor_mca1 +# Column.25: dtfactor_mca2 +# Column.26: dtfactor_mca3 +# Column.27: dtfactor_mca4 +# Legend.End: here +# Scan.end_time: 2018-11-27 07:34:40 +# ExtraPVs.Start: Family.Member: Value | PV +# Beamline.FOE_Slit_HPos: 0.0250 || 13IDA:m5.VAL +# Beamline.FOE_Slit_HWid: 0.8000 || 13IDA:m6.VAL +# Beamline.FOE_Slit_VPos: -0.1250 || 13IDA:m7.VAL +# Beamline.FOE_Slit_VWid: 0.2500 || 13IDA:m8.VAL +# Beamline.FluxEstimate: 1.467e+12 || 13XRM:ION:FluxOut.VAL +# Beamline.I0_Sensitivity_Number: 100 || 13IDE:A1sens_num.VAL +# Beamline.I0_Sensitivity_Unit: nA/V || 13IDE:A1sens_unit.VAL +# Beamline.I1_Sensitivity_Number: 200 || 13IDE:A2sens_num.VAL +# Beamline.I1_Sensitivity_Unit: nA/V || 13IDE:A2sens_unit.VAL +# Beamline.I2_Sensitivity_Number: 20 || 13IDE:A3sens_num.VAL +# Beamline.I2_Sensitivity_Unit: nA/V || 13IDE:A3sens_unit.VAL +# Beamline.SSA_Slit_HPos: 0 || 13IDA:m69.VAL +# Beamline.SSA_Slit_HWid: 0.0500 || 13IDA:m70.VAL +# Beamline.SSA_Slit_VPos: 0.7500 || 13IDA:m71.VAL +# Beamline.SSA_Slit_VWid: 0.3000 || 13IDA:m72.VAL +# DetectorStage.X: 15380.0 || 13IDE:m34.VAL +# DetectorStage.Y: 291.740 || 13IDE:m4.VAL +# DetectorStage.Z: 125.0000 || 13IDE:m19.VAL +# Facility.Ring_Current: 86.5 || S:SRcurrentAI.VAL +# Facility.Ring_Lifetime: 73.3 || S:SRlifeTimeHrsCC.VAL +# Monochromator.d_spacing: 3.13477 || 13IDE:En:dspace.VAL +# Monochromator.height: 24.90000 || 13IDE:En:height.VAL +# Monochromator.theta_offset: 17.54913 || 13IDA:m65.OFF +# Monochromator.xtal2_pitch: -0.1160 || 13IDA:m67.VAL +# Monochromator.xtal2_rol: 1.0400 || 13IDA:m68.VAL +# Monochromator.xtal2_y: 13.3075 || 13IDA:m66.VAL +# Monochromator.xtal2_y_off: 11.6000 || 13IDA:m66.OFF +# SampleStage.CoarseX: 130.7285 || 13XRM:m4.VAL +# SampleStage.CoarseY: 89.3002 || 13XRM:m5.VAL +# SampleStage.CoarseZ: 211.0609 || 13XRM:m6.VAL +# SampleStage.FineX: -0.15999 || 13XRM:m1.VAL +# SampleStage.FineY: -0.14400 || 13XRM:m2.VAL +# SampleStage.Theta: 0 || 13XRM:m3.VAL +# Undulator.Energy: 5.801 || ID13us:Energy.VAL +# Monochromator.Energy: 5599.50000 || 13IDE:En:Energy.VAL +# ExtraPVs.End: here +# ScanParameters.Start: Scan.Member: Value +# ScanParameters.ScanType: xafs +# ScanParameters.element: V +# ScanParameters.edge: K +# ScanParameters.E0: 5465.000 +# ScanParameters.Legend: Start, Stop, Step, K-space, Time +# ScanParameters.Region1: -100.000, -10.000, 2.500 False 0.50 +# ScanParameters.Region2: -10.000, 25.008, 0.150 False 0.50 +# ScanParameters.Region3: 2.562, 8.500, 0.060 True 0.50 +# ScanParameters.End: here +# Process.program: xraylarch +# Process.version: 0.9.80 +# Process.command: pre_edge(data, nvict=0, pre1=-150, pre2=-50, norm1=150, norm2=750, make_flat=True) +# Process.step1: using col1..col27 for 27 from arrays in rawdata +# Process.step2: energy = col1 # column 1: energy (eV) +# Process.step3: i0 = col4 # column 4: incident beam intensity +# Process.step4: # fluorescence: sum 4 channels, with deadtime corection from columns in the data +# Process.step5: ifluor = col16*col24+col17*col25+col18*col26+col19*col27 +# Process.step6: mu = iflour/i0 +# Process.step7: edge_step = 0.002835842 +# Process.step8: pre_edge = -4.244040e-4 + 9.851122e-8*energy +# Process.step9: intensity = norm = (mu - pre_edge) /edge_step +# /// Users Comments /// +# +#--------------------------------- +# energy norm ifluor i0 tscaler i1 i2 outputcounts_mca1 outputcounts_mca2 outputcounts_mca3 outputcounts_mca4 ca_ka_mca1 ca_ka_mca2 ca_ka_mca3 ca_ka_mca4 v_ka_mca1 v_ka_mca2 v_ka_mca3 v_ka_mca4 clock_mca1 clock_mca2 clock_mca3 clock_mca4 dtfactor_mca1 dtfactor_mca2 dtfactor_mca3 dtfactor_mca4 + 5365.01623500 -0.00002595885 1095.53185000 10530247.0000 24999424.0000 46711.0000000 375.000000000 107376.000000 94166.0000000 107826.000000 144060.000000 74034.0000000 62503.0000000 70964.0000000 95979.0000000 116.000000000 369.000000000 296.000000000 294.000000000 39994318.0000 39994318.0000 39994318.0000 39994318.0000 1.01782700000 1.01513200000 1.02002700000 1.02364700000 + 5367.51292000 -0.00053293928 1062.66896200 10332733.0000 24999423.0000 46697.0000000 374.000000000 105463.000000 92398.0000000 105472.000000 141343.000000 72869.0000000 61246.0000000 69606.0000000 94578.0000000 92.0000000000 364.000000000 267.000000000 320.000000000 39994316.0000 39994316.0000 39994316.0000 39994316.0000 1.01750900000 1.01484800000 1.01958600000 1.02320000000 + 5370.01752600 0.00069803343 1088.98690600 10217316.0000 24999478.0000 46803.0000000 375.000000000 103642.000000 90757.0000000 104954.000000 140171.000000 71369.0000000 60307.0000000 69329.0000000 93557.0000000 90.0000000000 372.000000000 268.000000000 339.000000000 39994404.0000 39994404.0000 39994404.0000 39994404.0000 1.01720400000 1.01458000000 1.01948200000 1.02299000000 + 5372.51742900 0.00019487509 1076.70891400 10215273.0000 24999370.0000 46817.0000000 374.000000000 104101.000000 90810.0000000 104675.000000 139998.000000 71740.0000000 60563.0000000 69076.0000000 93307.0000000 105.000000000 360.000000000 269.000000000 323.000000000 39994231.0000 39994231.0000 39994231.0000 39994231.0000 1.01727500000 1.01458700000 1.01943000000 1.02296300000 + 5375.01893800 -0.00029131594 1055.16029600 10119545.0000 24999291.0000 46737.0000000 375.000000000 103543.000000 90187.0000000 103901.000000 138190.000000 71470.0000000 59883.0000000 68734.0000000 92428.0000000 87.0000000000 360.000000000 268.000000000 321.000000000 39994105.0000 39994105.0000 39994105.0000 39994105.0000 1.01718800000 1.01449100000 1.01928800000 1.02267600000 + 5377.51753000 0.00016897053 1088.79945500 10289070.0000 24999952.0000 46729.0000000 374.000000000 105071.000000 91909.0000000 105101.000000 141151.000000 72606.0000000 60765.0000000 69335.0000000 94004.0000000 101.000000000 404.000000000 271.000000000 293.000000000 39995162.0000 39995162.0000 39995162.0000 39995162.0000 1.01743800000 1.01476600000 1.01951200000 1.02315700000 + 5380.01862800 -0.00105267815 1065.72650100 10386898.0000 24998914.0000 46644.0000000 374.000000000 105402.000000 92119.0000000 106795.000000 142684.000000 72651.0000000 61305.0000000 70477.0000000 95175.0000000 101.000000000 364.000000000 286.000000000 295.000000000 39993501.0000 39993501.0000 39993501.0000 39993501.0000 1.01749300000 1.01479800000 1.01982600000 1.02340000000 + 5382.51951500 -0.00043704503 1075.91179200 10286439.0000 24999495.0000 46696.0000000 375.000000000 104781.000000 91355.0000000 105148.000000 141027.000000 72197.0000000 60861.0000000 69360.0000000 94041.0000000 87.0000000000 363.000000000 262.000000000 344.000000000 39994431.0000 39994431.0000 39994431.0000 39994431.0000 1.01738800000 1.01467600000 1.01952000000 1.02313200000 + 5385.01746300 0.00025127494 1113.87996800 10430251.0000 24999406.0000 46727.0000000 374.000000000 106302.000000 92964.0000000 107413.000000 142506.000000 73469.0000000 61673.0000000 70862.0000000 94984.0000000 110.000000000 367.000000000 275.000000000 341.000000000 39994289.0000 39994289.0000 39994289.0000 39994289.0000 1.01764200000 1.01493500000 1.01994400000 1.02338300000 + 5387.51700300 0.00075485412 1142.55056500 10533574.0000 24999382.0000 46701.0000000 374.000000000 107243.000000 93318.0000000 108812.000000 143330.000000 73865.0000000 62093.0000000 72025.0000000 95396.0000000 94.0000000000 381.000000000 312.000000000 334.000000000 39994250.0000 39994250.0000 39994250.0000 39994250.0000 1.01780300000 1.01499700000 1.02020900000 1.02352700000 + 5390.01813500 -0.00061840917 1104.76057200 10539643.0000 24999399.0000 46699.0000000 374.000000000 107685.000000 93575.0000000 108017.000000 144203.000000 74222.0000000 62059.0000000 71530.0000000 95928.0000000 106.000000000 378.000000000 284.000000000 316.000000000 39994277.0000 39994277.0000 39994277.0000 39994277.0000 1.01788300000 1.01504100000 1.02006400000 1.02367500000 + 5392.51904000 0.00007173602 1136.33140100 10617632.0000 24999700.0000 46725.0000000 375.000000000 108336.000000 93780.0000000 108388.000000 144681.000000 74522.0000000 62307.0000000 71412.0000000 96396.0000000 122.000000000 390.000000000 295.000000000 308.000000000 39994759.0000 39994759.0000 39994759.0000 39994759.0000 1.01799000000 1.01507600000 1.02013500000 1.02375700000 + 5395.01880200 0.00135965930 1175.21638100 10595013.0000 24999058.0000 46688.0000000 374.000000000 108473.000000 94264.0000000 107910.000000 144537.000000 74584.0000000 62587.0000000 70858.0000000 96038.0000000 119.000000000 393.000000000 297.000000000 344.000000000 39993733.0000 39993733.0000 39993733.0000 39993733.0000 1.01801000000 1.01515200000 1.02004700000 1.02373400000 + 5397.52015000 -0.00065042596 1103.75155700 10465296.0000 24999909.0000 46715.0000000 374.000000000 106446.000000 93330.0000000 107307.000000 143742.000000 73406.0000000 61764.0000000 70366.0000000 95838.0000000 95.0000000000 371.000000000 286.000000000 331.000000000 39995094.0000 39995094.0000 39995094.0000 39995094.0000 1.01767700000 1.01499800000 1.01992900000 1.02359000000 + 5400.02125900 0.00249475053 1199.25867700 10461687.0000 24999010.0000 46771.0000000 375.000000000 106408.000000 93393.0000000 107108.000000 142467.000000 73473.0000000 61854.0000000 70431.0000000 94619.0000000 95.0000000000 429.000000000 324.000000000 329.000000000 39993656.0000 39993656.0000 39993656.0000 39993656.0000 1.01767100000 1.01501000000 1.01989300000 1.02339000000 + 5402.52303900 -0.00188474877 1067.06642000 10414440.0000 24999448.0000 46687.0000000 374.000000000 105813.000000 93350.0000000 106758.000000 143004.000000 73079.0000000 61822.0000000 70475.0000000 95356.0000000 86.0000000000 352.000000000 279.000000000 330.000000000 39994357.0000 39994357.0000 39994357.0000 39994357.0000 1.01757100000 1.01499900000 1.01982400000 1.02346900000 + 5405.02457200 0.00170868850 1170.68642700 10369497.0000 24999351.0000 46697.0000000 374.000000000 105762.000000 92508.0000000 107121.000000 141934.000000 73059.0000000 61419.0000000 70742.0000000 94379.0000000 107.000000000 402.000000000 315.000000000 325.000000000 39994201.0000 39994201.0000 39994201.0000 39994201.0000 1.01755400000 1.01486200000 1.01989000000 1.02328700000 + 5407.52218900 -0.00014001977 1120.70191200 10386436.0000 24999742.0000 46646.0000000 375.000000000 105797.000000 92424.0000000 106285.000000 142458.000000 72966.0000000 61636.0000000 69968.0000000 95014.0000000 96.0000000000 396.000000000 296.000000000 312.000000000 39994827.0000 39994827.0000 39994827.0000 39994827.0000 1.01756400000 1.01485000000 1.01973600000 1.02337600000 + 5410.02046100 -0.00060574942 1107.60456600 10368315.0000 24999616.0000 46678.0000000 374.000000000 105954.000000 92608.0000000 106074.000000 141599.000000 73123.0000000 61497.0000000 69719.0000000 94439.0000000 96.0000000000 365.000000000 300.000000000 326.000000000 39994625.0000 39994625.0000 39994625.0000 39994625.0000 1.01758700000 1.01488000000 1.01969700000 1.02323900000 + 5412.52122100 -0.00053040080 1113.45906700 10378426.0000 24998799.0000 46663.0000000 374.000000000 106100.000000 92968.0000000 106560.000000 141924.000000 73022.0000000 61465.0000000 70249.0000000 94315.0000000 102.000000000 411.000000000 282.000000000 298.000000000 39993319.0000 39993319.0000 39993319.0000 39993319.0000 1.01761500000 1.01493900000 1.01978900000 1.02329500000 + 5415.02263400 -0.00179315912 1079.11036100 10380916.0000 24999586.0000 46683.0000000 375.000000000 106669.000000 92607.0000000 106447.000000 142492.000000 73472.0000000 61425.0000000 70160.0000000 94801.0000000 95.0000000000 379.000000000 248.000000000 337.000000000 39994577.0000 39994577.0000 39994577.0000 39994577.0000 1.01771100000 1.01488500000 1.01977000000 1.02339300000 + 5417.52286000 -0.00156485905 1098.55674200 10477904.0000 24999399.0000 46741.0000000 374.000000000 107359.000000 93273.0000000 108103.000000 143267.000000 73892.0000000 62037.0000000 71144.0000000 95287.0000000 102.000000000 382.000000000 279.000000000 315.000000000 39994278.0000 39994278.0000 39994278.0000 39994278.0000 1.01782400000 1.01499200000 1.02008000000 1.02352200000 + 5420.02097100 0.00114111264 1185.35989700 10511782.0000 24999286.0000 46690.0000000 374.000000000 106498.000000 93764.0000000 107771.000000 144420.000000 73426.0000000 62163.0000000 70825.0000000 96116.0000000 108.000000000 396.000000000 308.000000000 351.000000000 39994097.0000 39994097.0000 39994097.0000 39994097.0000 1.01768600000 1.01506700000 1.02001600000 1.02369900000 + 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282.000000000 366.000000000 39994375.0000 39994375.0000 39994375.0000 39994375.0000 1.01772600000 1.01498700000 1.01997000000 1.02346800000 + 5430.02163400 -0.00217328707 1085.14176600 10398964.0000 24999459.0000 46696.0000000 375.000000000 105655.000000 93435.0000000 106785.000000 141919.000000 72844.0000000 61980.0000000 70320.0000000 94202.0000000 95.0000000000 373.000000000 298.000000000 299.000000000 39994374.0000 39994374.0000 39994374.0000 39994374.0000 1.01754500000 1.01501300000 1.01983100000 1.02329600000 + 5432.52292300 -0.00130857707 1114.98407000 10415590.0000 24999388.0000 46695.0000000 374.000000000 106255.000000 93568.0000000 107612.000000 142894.000000 73151.0000000 61896.0000000 71169.0000000 95222.0000000 96.0000000000 368.000000000 294.000000000 336.000000000 39994260.0000 39994260.0000 39994260.0000 39994260.0000 1.01764600000 1.01503600000 1.01998500000 1.02345600000 + 5435.02391600 0.00135449042 1186.98583500 10335281.0000 24999495.0000 46673.0000000 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--- /dev/null +++ b/conversion_examples/MultiElementFluor/V_XANES_ap11.001 @@ -0,0 +1,448 @@ +#XDI/1.1 Epics StepScan File / 2.0 +# Scan.start_time: 2018-11-27 07:34:55 +# Legend.Start: Column.N: Name units || EpicsPV +# Column.1: Energy eV || 13IDE:En:Energy.VAL +# Column.2: TSCALER counts || 13IDE:SIS1:mca1 +# Column.3: I0 counts || 13IDE:SIS1:mca2 +# Column.4: I1 counts || 13IDE:SIS1:mca3 +# Column.5: I2 counts || 13IDE:SIS1:mca4 +# Column.6: OutputCounts_mca1 counts || 13QX4:MCA1ROI:1:TSTotal +# Column.7: OutputCounts_mca2 counts || 13QX4:MCA2ROI:1:TSTotal +# Column.8: OutputCounts_mca3 counts || 13QX4:MCA3ROI:1:TSTotal +# Column.9: OutputCounts_mca4 counts || 13QX4:MCA4ROI:1:TSTotal +# Column.10: Ca_Ka_mca1 counts || 13QX4:MCA1ROI:7:TSTotal +# Column.11: Ca_Ka_mca2 counts || 13QX4:MCA2ROI:7:TSTotal +# Column.12: Ca_Ka_mca3 counts || 13QX4:MCA3ROI:7:TSTotal +# Column.13: Ca_Ka_mca4 counts || 13QX4:MCA4ROI:7:TSTotal +# Column.14: V_Ka_mca1 counts || 13QX4:MCA1ROI:10:TSTotal +# Column.15: V_Ka_mca2 counts || 13QX4:MCA2ROI:10:TSTotal +# Column.16: V_Ka_mca3 counts || 13QX4:MCA3ROI:10:TSTotal +# Column.17: V_Ka_mca4 counts || 13QX4:MCA4ROI:10:TSTotal +# Column.18: Clock_mca1 counts || 13QX4:C1SCA0:TSArrayValue +# Column.19: Clock_mca2 counts || 13QX4:C2SCA0:TSArrayValue +# Column.20: Clock_mca3 counts || 13QX4:C3SCA0:TSArrayValue +# Column.21: Clock_mca4 counts || 13QX4:C4SCA0:TSArrayValue +# Column.22: DTFactor_mca1 counts || 13QX4:C1SCA8:TSArrayValue +# Column.23: DTFactor_mca2 counts || 13QX4:C2SCA8:TSArrayValue +# Column.24: DTFactor_mca3 counts || 13QX4:C3SCA8:TSArrayValue +# Column.25: DTFactor_mca4 counts || 13QX4:C4SCA8:TSArrayValue +# Legend.End: here +# Scan.end_time: 2018-11-27 07:38:02 +# ExtraPVs.Start: Family.Member: Value | PV +# Beamline.FOE_Slit_HPos: 0.0250 || 13IDA:m5.VAL +# Beamline.FOE_Slit_HWid: 0.8000 || 13IDA:m6.VAL +# Beamline.FOE_Slit_VPos: -0.1250 || 13IDA:m7.VAL +# Beamline.FOE_Slit_VWid: 0.2500 || 13IDA:m8.VAL +# Beamline.FluxEstimate: 2.536e+12 || 13XRM:ION:FluxOut.VAL +# Beamline.I0_Sensitivity_Number: 100 || 13IDE:A1sens_num.VAL +# Beamline.I0_Sensitivity_Unit: nA/V || 13IDE:A1sens_unit.VAL +# Beamline.I1_Sensitivity_Number: 200 || 13IDE:A2sens_num.VAL +# Beamline.I1_Sensitivity_Unit: nA/V || 13IDE:A2sens_unit.VAL +# Beamline.I2_Sensitivity_Number: 20 || 13IDE:A3sens_num.VAL +# Beamline.I2_Sensitivity_Unit: nA/V || 13IDE:A3sens_unit.VAL +# Beamline.SSA_Slit_HPos: 0 || 13IDA:m69.VAL +# Beamline.SSA_Slit_HWid: 0.0500 || 13IDA:m70.VAL +# Beamline.SSA_Slit_VPos: 0.7500 || 13IDA:m71.VAL +# Beamline.SSA_Slit_VWid: 0.3000 || 13IDA:m72.VAL +# DetectorStage.X: 15380.0 || 13IDE:m34.VAL +# DetectorStage.Y: 291.740 || 13IDE:m4.VAL +# DetectorStage.Z: 125.0000 || 13IDE:m19.VAL +# Facility.Ring_Current: 86.5 || S:SRcurrentAI.VAL +# Facility.Ring_Lifetime: 76.6 || S:SRlifeTimeHrsCC.VAL +# Mono.dspacing: 3.13477 || 13IDE:En:dspace.VAL +# Mono.height: 24.90000 || 13IDE:En:height.VAL +# Mono.theta_offset: 17.54913 || 13IDA:m65.OFF +# Mono.xtal2_pitch: -0.1160 || 13IDA:m67.VAL +# Mono.xtal2_rol: 1.0400 || 13IDA:m68.VAL +# Mono.xtal2_y: 13.3075 || 13IDA:m66.VAL +# Mono.xtal2_y_off: 11.6000 || 13IDA:m66.OFF +# SampleStage.CoarseX: 130.7285 || 13XRM:m4.VAL +# SampleStage.CoarseY: 89.3002 || 13XRM:m5.VAL +# SampleStage.CoarseZ: 211.0609 || 13XRM:m6.VAL +# SampleStage.FineX: -0.60799 || 13XRM:m1.VAL +# SampleStage.FineY: -0.35600 || 13XRM:m2.VAL +# SampleStage.Theta: 0 || 13XRM:m3.VAL +# Undulator.Energy: 5.767 || ID13us:Energy.VAL +# Mono.Energy: 5600.00000 || 13IDE:En:Energy.VAL +# ExtraPVs.End: here +# ScanParameters.Start: Scan.Member: Value +# ScanParameters.ScanType: xafs +# ScanParameters.element: V +# ScanParameters.edge: K +# ScanParameters.E0: 5465.000 +# ScanParameters.Legend: Start, Stop, Step, K-space, Time +# ScanParameters.Region1: -100.000, -10.000, 2.500 False 0.50 +# ScanParameters.Region2: -10.000, 25.008, 0.150 False 0.50 +# ScanParameters.Region3: 2.562, 8.500, 0.060 True 0.50 +# ScanParameters.End: here +# /// Users Comments /// +# +# ------------------------ +# Energy TSCALER I0 I1 I2 OutputCounts_mca1 OutputCounts_mca2 OutputCounts_mca3 OutputCounts_mca4 Ca_Ka_mca1 Ca_Ka_mca2 Ca_Ka_mca3 Ca_Ka_mca4 V_Ka_mca1 V_Ka_mca2 V_Ka_mca3 V_Ka_mca4 Clock_mca1 Clock_mca2 Clock_mca3 Clock_mca4 DTFactor_mca1 DTFactor_mca2 DTFactor_mca3 DTFactor_mca4 + 5365.018037 24999303.000000 10394805.000000 46798.000000 375.000000 288934.000000 93967.000000 107287.000000 141326.000000 199450.000000 62162.000000 70802.000000 94171.000000 236.000000 433.000000 275.000000 287.000000 39994125.000000 39994125.000000 39994125.000000 39994125.000000 1.017597 1.015098 1.019924 1.023202 + 5367.512920 24999400.000000 10261418.000000 46810.000000 375.000000 105986.000000 92911.000000 105997.000000 139188.000000 72968.000000 61714.000000 70168.000000 92782.000000 95.000000 365.000000 265.000000 323.000000 39994279.000000 39994279.000000 39994279.000000 39994279.000000 1.017489 1.014921 1.019676 1.022841 + 5370.016624 24999471.000000 10097236.000000 46723.000000 374.000000 105439.000000 91618.000000 104173.000000 137830.000000 72823.000000 60922.000000 68749.000000 91965.000000 92.000000 375.000000 283.000000 308.000000 39994393.000000 39994393.000000 39994393.000000 39994393.000000 1.017257 1.014715 1.019336 1.022615 + 5372.518332 24999298.000000 10116596.000000 46745.000000 375.000000 104022.000000 91673.000000 104574.000000 138059.000000 71963.000000 60834.000000 69123.000000 92291.000000 101.000000 356.000000 265.000000 316.000000 39994116.000000 39994116.000000 39994116.000000 39994116.000000 1.017160 1.014721 1.019408 1.022645 + 5375.018938 24999447.000000 10292148.000000 46887.000000 375.000000 103445.000000 93223.000000 106233.000000 140114.000000 71717.000000 61820.000000 70055.000000 93600.000000 85.000000 385.000000 310.000000 296.000000 39994355.000000 39994355.000000 39994355.000000 39994355.000000 1.017545 1.014973 1.019722 1.022992 + 5377.518435 24999502.000000 10229561.000000 46913.000000 374.000000 105760.000000 92454.000000 105617.000000 139512.000000 72941.000000 61357.000000 69406.000000 93278.000000 93.000000 367.000000 259.000000 299.000000 39994442.000000 39994442.000000 39994442.000000 39994442.000000 1.017471 1.014852 1.019608 1.022896 + 5380.018628 24999363.000000 10318180.000000 46959.000000 375.000000 105289.000000 93859.000000 106253.000000 140653.000000 72853.000000 62436.000000 70157.000000 93654.000000 90.000000 360.000000 291.000000 326.000000 39994219.000000 39994219.000000 39994219.000000 39994219.000000 1.017703 1.015078 1.019730 1.023091 + 5382.520422 24999369.000000 10408483.000000 46917.000000 375.000000 106697.000000 94303.000000 107258.000000 141561.000000 73454.000000 62503.000000 70628.000000 94539.000000 87.000000 345.000000 305.000000 326.000000 39994229.000000 39994229.000000 39994229.000000 39994229.000000 1.017713 1.015154 1.019922 1.023247 + 5385.021094 24999370.000000 10446768.000000 46937.000000 375.000000 106689.000000 94902.000000 107587.000000 142490.000000 73780.000000 62898.000000 70806.000000 95279.000000 109.000000 375.000000 264.000000 323.000000 39994232.000000 39994232.000000 39994232.000000 39994232.000000 1.017881 1.015249 1.019982 1.023398 + 5387.520638 24999453.000000 10464217.000000 46986.000000 375.000000 107730.000000 94693.000000 108111.000000 142617.000000 74426.000000 62668.000000 71423.000000 94973.000000 91.000000 369.000000 273.000000 306.000000 39994364.000000 39994364.000000 39994364.000000 39994364.000000 1.017854 1.015219 1.020082 1.023422 + 5390.019954 24999478.000000 10452464.000000 46912.000000 375.000000 107525.000000 94587.000000 108302.000000 142931.000000 74326.000000 62847.000000 71433.000000 95320.000000 80.000000 395.000000 282.000000 324.000000 39994404.000000 39994404.000000 39994404.000000 39994404.000000 1.017852 1.015200 1.020115 1.023468 + 5392.520861 24999417.000000 10504604.000000 46933.000000 375.000000 107532.000000 94917.000000 108498.000000 142673.000000 74249.000000 63146.000000 71719.000000 95089.000000 115.000000 424.000000 284.000000 316.000000 39994306.000000 39994306.000000 39994306.000000 39994306.000000 1.018000 1.015256 1.020157 1.023440 + 5395.020625 24999364.000000 10458184.000000 46924.000000 375.000000 108412.000000 94706.000000 107895.000000 143144.000000 74600.000000 62737.000000 71064.000000 95209.000000 116.000000 376.000000 299.000000 333.000000 39994222.000000 39994222.000000 39994222.000000 39994222.000000 1.017934 1.015219 1.020041 1.023507 + 5397.521063 24999435.000000 10447900.000000 46920.000000 375.000000 108039.000000 94515.000000 107557.000000 142719.000000 74489.000000 62677.000000 70714.000000 95135.000000 95.000000 417.000000 281.000000 323.000000 39994336.000000 39994336.000000 39994336.000000 39994336.000000 1.017867 1.015185 1.019974 1.023428 + 5400.022173 24999382.000000 10509070.000000 46914.000000 375.000000 107669.000000 95613.000000 108347.000000 142871.000000 74648.000000 63173.000000 71271.000000 95299.000000 106.000000 421.000000 286.000000 313.000000 39994252.000000 39994252.000000 39994252.000000 39994252.000000 1.017870 1.015353 1.020116 1.023441 + 5402.521210 24999435.000000 10356720.000000 46921.000000 375.000000 107758.000000 94037.000000 107370.000000 141523.000000 74365.000000 62492.000000 70739.000000 94719.000000 81.000000 380.000000 269.000000 300.000000 39994337.000000 39994337.000000 39994337.000000 39994337.000000 1.017607 1.015109 1.019939 1.023233 + 5405.020911 24999862.000000 10483627.000000 46824.000000 375.000000 106043.000000 95035.000000 108304.000000 143287.000000 73065.000000 63303.000000 71263.000000 95117.000000 127.000000 402.000000 283.000000 315.000000 39995019.000000 39995019.000000 39995019.000000 39995019.000000 1.017960 1.015269 1.020114 1.023524 + 5407.521273 24998967.000000 10384732.000000 46696.000000 375.000000 108216.000000 94148.000000 107725.000000 141650.000000 74523.000000 62658.000000 70965.000000 94352.000000 92.000000 376.000000 295.000000 365.000000 39993587.000000 39993587.000000 39993587.000000 39993587.000000 1.017743 1.015128 1.020007 1.023259 + 5410.021378 24999370.000000 10400994.000000 46685.000000 375.000000 106884.000000 94203.000000 107541.000000 142202.000000 73661.000000 62529.000000 70785.000000 94991.000000 105.000000 393.000000 287.000000 339.000000 39994231.000000 39994231.000000 39994231.000000 39994231.000000 1.017806 1.015135 1.019970 1.023341 + 5412.522138 24999424.000000 10457257.000000 46706.000000 375.000000 107319.000000 94644.000000 108180.000000 142360.000000 73714.000000 63135.000000 71203.000000 95180.000000 116.000000 382.000000 283.000000 329.000000 39994318.000000 39994318.000000 39994318.000000 39994318.000000 1.017924 1.015203 1.020089 1.023367 + 5415.021715 24999489.000000 10396083.000000 46763.000000 374.000000 108063.000000 94510.000000 108067.000000 141742.000000 74568.000000 62648.000000 71150.000000 94158.000000 94.000000 416.000000 300.000000 329.000000 39994422.000000 39994422.000000 39994422.000000 39994422.000000 1.017885 1.015188 1.020073 1.023281 + 5417.521021 24999718.000000 10413615.000000 46734.000000 375.000000 107750.000000 94850.000000 107964.000000 141870.000000 74258.000000 62786.000000 71016.000000 94406.000000 107.000000 409.000000 274.000000 324.000000 39994789.000000 39994789.000000 39994789.000000 39994789.000000 1.017813 1.015233 1.020046 1.023282 + 5420.021891 24998973.000000 10311759.000000 46800.000000 375.000000 107399.000000 93988.000000 106887.000000 140725.000000 74082.000000 62313.000000 70177.000000 93820.000000 117.000000 382.000000 266.000000 321.000000 39993596.000000 39993596.000000 39993596.000000 39993596.000000 1.017576 1.015097 1.019846 1.023097 + 5422.521563 24999448.000000 10323649.000000 46821.000000 374.000000 105911.000000 93676.000000 106859.000000 140863.000000 73013.000000 62350.000000 70561.000000 94090.000000 109.000000 361.000000 269.000000 324.000000 39994356.000000 39994356.000000 39994356.000000 39994356.000000 1.017564 1.015044 1.019837 1.023111 + 5425.022797 24999495.000000 10249607.000000 46828.000000 375.000000 105879.000000 92809.000000 105726.000000 139441.000000 73139.000000 61952.000000 69618.000000 93183.000000 110.000000 354.000000 284.000000 307.000000 39994431.000000 39994431.000000 39994431.000000 39994431.000000 1.017580 1.014911 1.019631 1.022894 + 5427.523746 24999304.000000 10201813.000000 46792.000000 374.000000 105945.000000 93600.000000 105626.000000 139595.000000 72942.000000 62237.000000 69733.000000 92914.000000 94.000000 391.000000 264.000000 364.000000 39994126.000000 39994126.000000 39994126.000000 39994126.000000 1.017599 1.015033 1.019610 1.022912 + 5430.024407 24999477.000000 10206771.000000 46758.000000 375.000000 106100.000000 92261.000000 105364.000000 139705.000000 73173.000000 61358.000000 69395.000000 93016.000000 131.000000 382.000000 272.000000 328.000000 39994403.000000 39994403.000000 39994403.000000 39994403.000000 1.017458 1.014822 1.019563 1.022930 + 5432.523848 24999316.000000 10261758.000000 46920.000000 375.000000 105207.000000 93221.000000 106303.000000 140232.000000 72563.000000 61994.000000 69931.000000 93654.000000 131.000000 332.000000 287.000000 348.000000 39994145.000000 39994145.000000 39994145.000000 39994145.000000 1.017462 1.014971 1.019733 1.023004 + 5435.022063 24999579.000000 10213542.000000 46879.000000 374.000000 105254.000000 93179.000000 106186.000000 140311.000000 72675.000000 61626.000000 69872.000000 93195.000000 110.000000 381.000000 264.000000 330.000000 39994566.000000 39994566.000000 39994566.000000 39994566.000000 1.017502 1.014964 1.019712 1.023019 + 5437.521826 24999352.000000 10171558.000000 46876.000000 375.000000 105507.000000 92686.000000 105916.000000 138778.000000 72775.000000 61257.000000 69822.000000 92524.000000 103.000000 379.000000 290.000000 344.000000 39994202.000000 39994202.000000 39994202.000000 39994202.000000 1.017376 1.014887 1.019662 1.022775 + 5440.022209 24999411.000000 10134522.000000 46805.000000 374.000000 104716.000000 92448.000000 105276.000000 138701.000000 72275.000000 61542.000000 69431.000000 92569.000000 108.000000 386.000000 280.000000 305.000000 39994298.000000 39994298.000000 39994298.000000 39994298.000000 1.017418 1.014848 1.019543 1.022762 + 5442.523210 24999345.000000 9921658.000000 46822.000000 375.000000 104991.000000 89726.000000 102545.000000 135718.000000 72350.000000 59442.000000 67756.000000 90502.000000 124.000000 411.000000 302.000000 321.000000 39994192.000000 39994192.000000 39994192.000000 39994192.000000 1.017082 1.014412 1.019030 1.022267 + 5445.022968 24999382.000000 9929662.000000 46806.000000 374.000000 102975.000000 90264.000000 102639.000000 135902.000000 71069.000000 59902.000000 67774.000000 90884.000000 89.000000 405.000000 282.000000 338.000000 39994251.000000 39994251.000000 39994251.000000 39994251.000000 1.016972 1.014495 1.019046 1.022290 + 5447.523337 24999454.000000 9902215.000000 46865.000000 374.000000 102312.000000 90722.000000 102567.000000 135438.000000 70748.000000 60245.000000 67539.000000 90217.000000 105.000000 373.000000 280.000000 322.000000 39994366.000000 39994366.000000 39994366.000000 39994366.000000 1.016973 1.014567 1.019032 1.022217 + 5450.023383 24999321.000000 9867579.000000 46830.000000 374.000000 102333.000000 89451.000000 102727.000000 134591.000000 70635.000000 59248.000000 67598.000000 89604.000000 106.000000 362.000000 324.000000 310.000000 39994154.000000 39994154.000000 39994154.000000 39994154.000000 1.016883 1.014361 1.019058 1.022072 + 5452.375771 24999502.000000 9761457.000000 46773.000000 374.000000 101820.000000 88417.000000 101070.000000 133041.000000 70414.000000 58629.000000 66575.000000 88772.000000 101.000000 383.000000 287.000000 298.000000 39994443.000000 39994443.000000 39994443.000000 39994443.000000 1.016750 1.014195 1.018748 1.021817 + 5454.141497 24999447.000000 9882804.000000 46786.000000 374.000000 101037.000000 90239.000000 102067.000000 134879.000000 69954.000000 59643.000000 67519.000000 90152.000000 134.000000 413.000000 283.000000 318.000000 39994355.000000 39994355.000000 39994355.000000 39994355.000000 1.016940 1.014486 1.018936 1.022117 + 5455.026221 24999412.000000 9945030.000000 46701.000000 373.000000 102168.000000 90826.000000 102906.000000 136339.000000 70381.000000 60522.000000 67786.000000 91246.000000 111.000000 427.000000 295.000000 335.000000 39994298.000000 39994298.000000 39994298.000000 39994298.000000 1.016956 1.014583 1.019095 1.022361 + 5455.326799 24999345.000000 10035777.000000 46760.000000 374.000000 102215.000000 90993.000000 103826.000000 137762.000000 70549.000000 60353.000000 68359.000000 92024.000000 141.000000 381.000000 305.000000 351.000000 39994191.000000 39994191.000000 39994191.000000 39994191.000000 1.017151 1.014612 1.019267 1.022591 + 5455.478968 24999412.000000 10038637.000000 46764.000000 374.000000 103413.000000 91312.000000 103798.000000 136568.000000 71493.000000 60634.000000 68175.000000 91010.000000 124.000000 347.000000 326.000000 331.000000 39994298.000000 39994298.000000 39994298.000000 39994298.000000 1.017306 1.014666 1.019267 1.022414 + 5455.627412 24999460.000000 10093664.000000 46782.000000 373.000000 104338.000000 91706.000000 104414.000000 138064.000000 72049.000000 60918.000000 68776.000000 91994.000000 138.000000 400.000000 254.000000 373.000000 39994375.000000 39994375.000000 39994375.000000 39994375.000000 1.017249 1.014729 1.019380 1.022650 + 5455.779600 24999802.000000 10122062.000000 46815.000000 374.000000 103966.000000 92443.000000 105116.000000 138156.000000 71368.000000 61393.000000 69152.000000 91856.000000 115.000000 400.000000 340.000000 356.000000 39994922.000000 39994922.000000 39994922.000000 39994922.000000 1.017395 1.014846 1.019512 1.022672 + 5455.930863 24998961.000000 10102100.000000 46751.000000 374.000000 104871.000000 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39994326.000000 39994326.000000 1.013056 1.011096 1.014457 1.016962 + 5732.597377 24999424.000000 7500826.000000 46777.000000 373.000000 78928.000000 70339.000000 79685.000000 105196.000000 50953.000000 43778.000000 49355.000000 65803.000000 3661.000000 3489.000000 3926.000000 4609.000000 39994318.000000 39994318.000000 39994318.000000 39994318.000000 1.013201 1.011273 1.014740 1.017195 diff --git a/conversion_examples/MultiElementFluor/V_XANES_ap11_new.001 b/conversion_examples/MultiElementFluor/V_XANES_ap11_new.001 new file mode 100644 index 0000000..658e88f --- /dev/null +++ b/conversion_examples/MultiElementFluor/V_XANES_ap11_new.001 @@ -0,0 +1,460 @@ +# XDI/1.1 +# Column.1: energy eV +# Column.2: norm +# Column.3: ifluor +# Column.4: i0 +# Column.5: tscaler +# Column.6: i1 +# Column.7: i2 +# Column.8: outputcounts_mca1 +# Column.9: outputcounts_mca2 +# Column.10: outputcounts_mca3 +# Column.11: outputcounts_mca4 +# Column.12: ca_ka_mca1 +# Column.13: ca_ka_mca2 +# Column.14: ca_ka_mca3 +# Column.15: ca_ka_mca4 +# Column.16: v_ka_mca1 +# Column.17: v_ka_mca2 +# Column.18: v_ka_mca3 +# Column.19: v_ka_mca4 +# Column.20: clock_mca1 +# Column.21: clock_mca2 +# Column.22: clock_mca3 +# Column.23: clock_mca4 +# Column.24: dtfactor_mca1 +# Column.25: dtfactor_mca2 +# Column.26: dtfactor_mca3 +# Column.27: dtfactor_mca4 +# Legend.End: here +# Scan.end_time: 2018-11-27 07:38:02 +# ExtraPVs.Start: Family.Member: Value | PV +# Beamline.FOE_Slit_HPos: 0.0250 || 13IDA:m5.VAL +# Beamline.FOE_Slit_HWid: 0.8000 || 13IDA:m6.VAL +# Beamline.FOE_Slit_VPos: -0.1250 || 13IDA:m7.VAL +# Beamline.FOE_Slit_VWid: 0.2500 || 13IDA:m8.VAL +# Beamline.FluxEstimate: 2.536e+12 || 13XRM:ION:FluxOut.VAL +# Beamline.I0_Sensitivity_Number: 100 || 13IDE:A1sens_num.VAL +# Beamline.I0_Sensitivity_Unit: nA/V || 13IDE:A1sens_unit.VAL +# Beamline.I1_Sensitivity_Number: 200 || 13IDE:A2sens_num.VAL +# Beamline.I1_Sensitivity_Unit: nA/V || 13IDE:A2sens_unit.VAL +# Beamline.I2_Sensitivity_Number: 20 || 13IDE:A3sens_num.VAL +# Beamline.I2_Sensitivity_Unit: nA/V || 13IDE:A3sens_unit.VAL +# Beamline.SSA_Slit_HPos: 0 || 13IDA:m69.VAL +# Beamline.SSA_Slit_HWid: 0.0500 || 13IDA:m70.VAL +# Beamline.SSA_Slit_VPos: 0.7500 || 13IDA:m71.VAL +# Beamline.SSA_Slit_VWid: 0.3000 || 13IDA:m72.VAL +# DetectorStage.X: 15380.0 || 13IDE:m34.VAL +# DetectorStage.Y: 291.740 || 13IDE:m4.VAL +# DetectorStage.Z: 125.0000 || 13IDE:m19.VAL +# Facility.Ring_Current: 86.5 || S:SRcurrentAI.VAL +# Facility.Ring_Lifetime: 76.6 || S:SRlifeTimeHrsCC.VAL +# Monochromator.d_spacing: 3.13477 || 13IDE:En:dspace.VAL +# Monochromator.height: 24.90000 || 13IDE:En:height.VAL +# Monochromator.theta_offset: 17.54913 || 13IDA:m65.OFF +# Monochromator.xtal2_pitch: -0.1160 || 13IDA:m67.VAL +# Monochromator.xtal2_rol: 1.0400 || 13IDA:m68.VAL +# Monochromator.xtal2_y: 13.3075 || 13IDA:m66.VAL +# Monochromator.xtal2_y_off: 11.6000 || 13IDA:m66.OFF +# SampleStage.CoarseX: 130.7285 || 13XRM:m4.VAL +# SampleStage.CoarseY: 89.3002 || 13XRM:m5.VAL +# SampleStage.CoarseZ: 211.0609 || 13XRM:m6.VAL +# SampleStage.FineX: -0.60799 || 13XRM:m1.VAL +# SampleStage.FineY: -0.35600 || 13XRM:m2.VAL +# SampleStage.Theta: 0 || 13XRM:m3.VAL +# Undulator.Energy: 5.767 || ID13us:Energy.VAL +# Monochromator.Energy: 5600.00000 || 13IDE:En:Energy.VAL +# ExtraPVs.End: here +# ScanParameters.Start: Scan.Member: Value +# ScanParameters.ScanType: xafs +# ScanParameters.element: V +# ScanParameters.edge: K +# ScanParameters.E0: 5465.000 +# ScanParameters.Legend: Start, Stop, Step, K-space, Time +# ScanParameters.Region1: -100.000, -10.000, 2.500 False 0.50 +# ScanParameters.Region2: -10.000, 25.008, 0.150 False 0.50 +# ScanParameters.Region3: 2.562, 8.500, 0.060 True 0.50 +# ScanParameters.End: here +# Process.program: xraylarch +# Process.version: 0.9.80 +# Process.command: pre_edge(data, nvict=0, pre1=-150, pre2=-50, norm1=150, norm2=750, make_flat=True) +# Process.step1: using col1..col27 for 27 from arrays in rawdata +# Process.step2: energy = col1 # column 1: energy (eV) +# Process.step3: i0 = col4 # column 4: incident beam intensity +# Process.step4: # fluorescence: sum 4 channels, with deadtime corection from columns in the data +# Process.step5: ifluor = col16*col24+col17*col25+col18*col26+col19*col27 +# Process.step6: mu = iflour/i0 +# Process.step7: edge_step = 0.002353972 +# Process.step8: pre_edge = 3.426641e-5 + 1.351898e-8*energy +# Process.step9: intensity = norm = (mu - pre_edge) /edge_step +# /// Users Comments /// +# +#--------------------------------- +# energy norm ifluor i0 tscaler i1 i2 outputcounts_mca1 outputcounts_mca2 outputcounts_mca3 outputcounts_mca4 ca_ka_mca1 ca_ka_mca2 ca_ka_mca3 ca_ka_mca4 v_ka_mca1 v_ka_mca2 v_ka_mca3 v_ka_mca4 clock_mca1 clock_mca2 clock_mca3 clock_mca4 dtfactor_mca1 dtfactor_mca2 dtfactor_mca3 dtfactor_mca4 + 5365.01803700 0.00587291122 1253.82840000 10394805.0000 24999303.0000 46798.0000000 375.000000000 288934.000000 93967.0000000 107287.000000 141326.000000 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5372.51833200 -0.00101473370 1057.27277600 10116596.0000 24999298.0000 46745.0000000 375.000000000 104022.000000 91673.0000000 104574.000000 138059.000000 71963.0000000 60834.0000000 69123.0000000 92291.0000000 101.000000000 356.000000000 265.000000000 316.000000000 39994116.0000 39994116.0000 39994116.0000 39994116.0000 1.01716000000 1.01472100000 1.01940800000 1.02264500000 + 5375.01893800 -0.00018063971 1096.17538200 10292148.0000 24999447.0000 46887.0000000 375.000000000 103445.000000 93223.0000000 106233.000000 140114.000000 71717.0000000 61820.0000000 70055.0000000 93600.0000000 85.0000000000 385.000000000 310.000000000 296.000000000 39994355.0000 39994355.0000 39994355.0000 39994355.0000 1.01754500000 1.01497300000 1.01972200000 1.02299200000 + 5377.51843500 -0.00237561765 1036.99986300 10229561.0000 24999502.0000 46913.0000000 374.000000000 105760.000000 92454.0000000 105617.000000 139512.000000 72941.0000000 61357.0000000 69406.0000000 93278.0000000 93.0000000000 367.000000000 259.000000000 299.000000000 39994442.0000 39994442.0000 39994442.0000 39994442.0000 1.01747100000 1.01485200000 1.01960800000 1.02289600000 + 5380.01862800 -0.00068930871 1087.29044600 10318180.0000 24999363.0000 46959.0000000 375.000000000 105289.000000 93859.0000000 106253.000000 140653.000000 72853.0000000 62436.0000000 70157.0000000 93654.0000000 90.0000000000 360.000000000 291.000000000 326.000000000 39994219.0000 39994219.0000 39994219.0000 39994219.0000 1.01770300000 1.01507800000 1.01973000000 1.02309100000 + 5382.52042200 -0.00124986603 1083.42389300 10408483.0000 24999369.0000 46917.0000000 375.000000000 106697.000000 94303.0000000 107258.000000 141561.000000 73454.0000000 62503.0000000 70628.0000000 94539.0000000 87.0000000000 345.000000000 305.000000000 326.000000000 39994229.0000 39994229.0000 39994229.0000 39994229.0000 1.01771300000 1.01515400000 1.01992200000 1.02324700000 + 5385.02109400 -0.00109786004 1091.50020600 10446768.0000 24999370.0000 46937.0000000 375.000000000 106689.000000 94902.0000000 107587.000000 142490.000000 73780.0000000 62898.0000000 70806.0000000 95279.0000000 109.000000000 375.000000000 264.000000000 323.000000000 39994232.0000 39994232.0000 39994232.0000 39994232.0000 1.01788100000 1.01524900000 1.01998200000 1.02339800000 + 5387.52063800 -0.00251009612 1058.89004300 10464217.0000 24999453.0000 46986.0000000 375.000000000 107730.000000 94693.0000000 108111.000000 142617.000000 74426.0000000 62668.0000000 71423.0000000 94973.0000000 91.0000000000 369.000000000 273.000000000 306.000000000 39994364.0000 39994364.0000 39994364.0000 39994364.0000 1.01785400000 1.01521900000 1.02008200000 1.02342200000 + 5390.01995400 -0.00073587741 1101.70822200 10452464.0000 24999478.0000 46912.0000000 375.000000000 107525.000000 94587.0000000 108302.000000 142931.000000 74326.0000000 62847.0000000 71433.0000000 95320.0000000 80.0000000000 395.000000000 282.000000000 324.000000000 39994404.0000 39994404.0000 39994404.0000 39994404.0000 1.01785200000 1.01520000000 1.02011500000 1.02346800000 + 5392.52086100 0.00141197605 1160.67017200 10504604.0000 24999417.0000 46933.0000000 375.000000000 107532.000000 94917.0000000 108498.000000 142673.000000 74249.0000000 63146.0000000 71719.0000000 95089.0000000 115.000000000 424.000000000 284.000000000 316.000000000 39994306.0000 39994306.0000 39994306.0000 39994306.0000 1.01800000000 1.01525600000 1.02015700000 1.02344000000 + 5395.02062500 0.00099473307 1145.62277800 10458184.0000 24999364.0000 46924.0000000 375.000000000 108412.000000 94706.0000000 107895.000000 143144.000000 74600.0000000 62737.0000000 71064.0000000 95209.0000000 116.000000000 376.000000000 299.000000000 333.000000000 39994222.0000 39994222.0000 39994222.0000 39994222.0000 1.01793400000 1.01521900000 1.02004100000 1.02350700000 + 5397.52106300 0.00068409056 1137.20944800 10447900.0000 24999435.0000 46920.0000000 375.000000000 108039.000000 94515.0000000 107557.000000 142719.000000 74489.0000000 62677.0000000 70714.0000000 95135.0000000 95.0000000000 417.000000000 281.000000000 323.000000000 39994336.0000 39994336.0000 39994336.0000 39994336.0000 1.01786700000 1.01518500000 1.01997400000 1.02342800000 + 5400.02217300 0.00081446305 1147.44804200 10509070.0000 24999382.0000 46914.0000000 375.000000000 107669.000000 95613.0000000 108347.000000 142871.000000 74648.0000000 63173.0000000 71271.0000000 95299.0000000 106.000000000 421.000000000 286.000000000 313.000000000 39994252.0000 39994252.0000 39994252.0000 39994252.0000 1.01787000000 1.01535300000 1.02011600000 1.02344100000 + 5402.52121000 -0.00253517649 1049.50107800 10356720.0000 24999435.0000 46921.0000000 375.000000000 107758.000000 94037.0000000 107370.000000 141523.000000 74365.0000000 62492.0000000 70739.0000000 94719.0000000 81.0000000000 380.000000000 269.000000000 300.000000000 39994337.0000 39994337.0000 39994337.0000 39994337.0000 1.01760700000 1.01510900000 1.01993900000 1.02323300000 + 5405.02091100 0.00094181886 1148.52138000 10483627.0000 24999862.0000 46824.0000000 375.000000000 106043.000000 95035.0000000 108304.000000 143287.000000 73065.0000000 63303.0000000 71263.0000000 95117.0000000 127.000000000 402.000000000 283.000000000 315.000000000 39995019.0000 39995019.0000 39995019.0000 39995019.0000 1.01796000000 1.01526900000 1.02011400000 1.02352400000 + 5407.52127300 0.00141937352 1149.71208400 10384732.0000 24998967.0000 46696.0000000 375.000000000 108216.000000 94148.0000000 107725.000000 141650.000000 74523.0000000 62658.0000000 70965.0000000 94352.0000000 92.0000000000 376.000000000 295.000000000 365.000000000 39993587.0000 39993587.0000 39993587.0000 39993587.0000 1.01774300000 1.01512800000 1.02000700000 1.02325900000 + 5410.02137800 0.00115787874 1145.46167400 10400994.0000 24999370.0000 46685.0000000 375.000000000 106884.000000 94203.0000000 107541.000000 142202.000000 73661.0000000 62529.0000000 70785.0000000 94991.0000000 105.000000000 393.000000000 287.000000000 339.000000000 39994231.0000 39994231.0000 39994231.0000 39994231.0000 1.01780600000 1.01513500000 1.01997000000 1.02334100000 + 5412.52213800 0.00031486127 1131.25966000 10457257.0000 24999424.0000 46706.0000000 375.000000000 107319.000000 94644.0000000 108180.000000 142360.000000 73714.0000000 63135.0000000 71203.0000000 95180.0000000 116.000000000 382.000000000 283.000000000 329.000000000 39994318.0000 39994318.0000 39994318.0000 39994318.0000 1.01792400000 1.01520300000 1.02008900000 1.02336700000 + 5415.02171500 0.00177315728 1160.68074700 10396083.0000 24999489.0000 46763.0000000 374.000000000 108063.000000 94510.0000000 108067.000000 141742.000000 74568.0000000 62648.0000000 71150.0000000 94158.0000000 94.0000000000 416.000000000 300.000000000 329.000000000 39994422.0000 39994422.0000 39994422.0000 39994422.0000 1.01788500000 1.01518800000 1.02007300000 1.02328100000 + 5417.52102100 0.00063835894 1135.17226000 10413615.0000 24999718.0000 46734.0000000 375.000000000 107750.000000 94850.0000000 107964.000000 141870.000000 74258.0000000 62786.0000000 71016.0000000 94406.0000000 107.000000000 409.000000000 274.000000000 324.000000000 39994789.0000 39994789.0000 39994789.0000 39994789.0000 1.01781300000 1.01523300000 1.02004600000 1.02328200000 + 5420.02189100 -0.00009911352 1106.51661900 10311759.0000 24998973.0000 46800.0000000 375.000000000 107399.000000 93988.0000000 106887.000000 140725.000000 74082.0000000 62313.0000000 70177.0000000 93820.0000000 117.000000000 382.000000000 266.000000000 321.000000000 39993596.0000 39993596.0000 39993596.0000 39993596.0000 1.01757600000 1.01509700000 1.01984600000 1.02309700000 + 5422.52156300 -0.00112669603 1083.16947700 10323649.0000 24999448.0000 46821.0000000 374.000000000 105911.000000 93676.0000000 106859.000000 140863.000000 73013.0000000 62350.0000000 70561.0000000 94090.0000000 109.000000000 361.000000000 269.000000000 324.000000000 39994356.0000 39994356.0000 39994356.0000 39994356.0000 1.01756400000 1.01504400000 1.01983700000 1.02311100000 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1.01305600000 1.01109600000 1.01445700000 1.01696200000 + 5732.59737700 0.85358073003 15909.7813530 7500826.00000 24999424.0000 46777.0000000 373.000000000 78928.0000000 70339.0000000 79685.0000000 105196.000000 50953.0000000 43778.0000000 49355.0000000 65803.0000000 3661.00000000 3489.00000000 3926.00000000 4609.00000000 39994318.0000 39994318.0000 39994318.0000 39994318.0000 1.01320100000 1.01127300000 1.01474000000 1.01719500000 diff --git a/conversion_examples/MultiElementFluor/V_XANES_ap12.001 b/conversion_examples/MultiElementFluor/V_XANES_ap12.001 new file mode 100755 index 0000000..32ca5a4 --- /dev/null +++ b/conversion_examples/MultiElementFluor/V_XANES_ap12.001 @@ -0,0 +1,448 @@ +#XDI/1.1 Epics StepScan File / 2.0 +# Scan.start_time: 2018-11-27 07:38:16 +# Legend.Start: Column.N: Name units || EpicsPV +# Column.1: Energy eV || 13IDE:En:Energy.VAL +# Column.2: TSCALER counts || 13IDE:SIS1:mca1 +# Column.3: I0 counts || 13IDE:SIS1:mca2 +# Column.4: I1 counts || 13IDE:SIS1:mca3 +# Column.5: I2 counts || 13IDE:SIS1:mca4 +# Column.6: OutputCounts_mca1 counts || 13QX4:MCA1ROI:1:TSTotal +# Column.7: OutputCounts_mca2 counts || 13QX4:MCA2ROI:1:TSTotal +# Column.8: OutputCounts_mca3 counts || 13QX4:MCA3ROI:1:TSTotal +# Column.9: OutputCounts_mca4 counts || 13QX4:MCA4ROI:1:TSTotal +# Column.10: Ca_Ka_mca1 counts || 13QX4:MCA1ROI:7:TSTotal +# Column.11: Ca_Ka_mca2 counts || 13QX4:MCA2ROI:7:TSTotal +# Column.12: Ca_Ka_mca3 counts || 13QX4:MCA3ROI:7:TSTotal +# Column.13: Ca_Ka_mca4 counts || 13QX4:MCA4ROI:7:TSTotal +# Column.14: V_Ka_mca1 counts || 13QX4:MCA1ROI:10:TSTotal +# Column.15: V_Ka_mca2 counts || 13QX4:MCA2ROI:10:TSTotal +# Column.16: V_Ka_mca3 counts || 13QX4:MCA3ROI:10:TSTotal +# Column.17: V_Ka_mca4 counts || 13QX4:MCA4ROI:10:TSTotal +# Column.18: Clock_mca1 counts || 13QX4:C1SCA0:TSArrayValue +# Column.19: Clock_mca2 counts || 13QX4:C2SCA0:TSArrayValue +# Column.20: Clock_mca3 counts || 13QX4:C3SCA0:TSArrayValue +# Column.21: Clock_mca4 counts || 13QX4:C4SCA0:TSArrayValue +# Column.22: DTFactor_mca1 counts || 13QX4:C1SCA8:TSArrayValue +# Column.23: DTFactor_mca2 counts || 13QX4:C2SCA8:TSArrayValue +# Column.24: DTFactor_mca3 counts || 13QX4:C3SCA8:TSArrayValue +# Column.25: DTFactor_mca4 counts || 13QX4:C4SCA8:TSArrayValue +# Legend.End: here +# Scan.end_time: 2018-11-27 07:41:23 +# ExtraPVs.Start: Family.Member: Value | PV +# Beamline.FOE_Slit_HPos: 0.0250 || 13IDA:m5.VAL +# Beamline.FOE_Slit_HWid: 0.8000 || 13IDA:m6.VAL +# Beamline.FOE_Slit_VPos: -0.1250 || 13IDA:m7.VAL +# Beamline.FOE_Slit_VWid: 0.2500 || 13IDA:m8.VAL +# Beamline.FluxEstimate: 1.640e+12 || 13XRM:ION:FluxOut.VAL +# Beamline.I0_Sensitivity_Number: 100 || 13IDE:A1sens_num.VAL +# Beamline.I0_Sensitivity_Unit: nA/V || 13IDE:A1sens_unit.VAL +# Beamline.I1_Sensitivity_Number: 200 || 13IDE:A2sens_num.VAL +# Beamline.I1_Sensitivity_Unit: nA/V || 13IDE:A2sens_unit.VAL +# Beamline.I2_Sensitivity_Number: 20 || 13IDE:A3sens_num.VAL +# Beamline.I2_Sensitivity_Unit: nA/V || 13IDE:A3sens_unit.VAL +# Beamline.SSA_Slit_HPos: 0 || 13IDA:m69.VAL +# Beamline.SSA_Slit_HWid: 0.0500 || 13IDA:m70.VAL +# Beamline.SSA_Slit_VPos: 0.7500 || 13IDA:m71.VAL +# Beamline.SSA_Slit_VWid: 0.3000 || 13IDA:m72.VAL +# DetectorStage.X: 15380.0 || 13IDE:m34.VAL +# DetectorStage.Y: 291.740 || 13IDE:m4.VAL +# DetectorStage.Z: 125.0000 || 13IDE:m19.VAL +# Facility.Ring_Current: 86.4 || S:SRcurrentAI.VAL +# Facility.Ring_Lifetime: 81.0 || S:SRlifeTimeHrsCC.VAL +# Mono.dspacing: 3.13477 || 13IDE:En:dspace.VAL +# Mono.height: 24.90000 || 13IDE:En:height.VAL +# Mono.theta_offset: 17.54913 || 13IDA:m65.OFF +# Mono.xtal2_pitch: -0.1160 || 13IDA:m67.VAL +# Mono.xtal2_rol: 1.0400 || 13IDA:m68.VAL +# Mono.xtal2_y: 13.3075 || 13IDA:m66.VAL +# Mono.xtal2_y_off: 11.6000 || 13IDA:m66.OFF +# SampleStage.CoarseX: 130.7285 || 13XRM:m4.VAL +# SampleStage.CoarseY: 89.3002 || 13XRM:m5.VAL +# SampleStage.CoarseZ: 211.0609 || 13XRM:m6.VAL +# SampleStage.FineX: -0.73200 || 13XRM:m1.VAL +# SampleStage.FineY: -0.46400 || 13XRM:m2.VAL +# SampleStage.Theta: 0 || 13XRM:m3.VAL +# Undulator.Energy: 5.803 || ID13us:Energy.VAL +# Mono.Energy: 5600.00000 || 13IDE:En:Energy.VAL +# ExtraPVs.End: here +# ScanParameters.Start: Scan.Member: Value +# ScanParameters.ScanType: xafs +# ScanParameters.element: V +# ScanParameters.edge: K +# ScanParameters.E0: 5465.000 +# ScanParameters.Legend: Start, Stop, Step, K-space, Time +# ScanParameters.Region1: -100.000, -10.000, 2.500 False 0.50 +# ScanParameters.Region2: -10.000, 25.008, 0.150 False 0.50 +# ScanParameters.Region3: 2.562, 8.500, 0.060 True 0.50 +# ScanParameters.End: here +# /// Users Comments /// +# +# ------------------------ +# Energy TSCALER I0 I1 I2 OutputCounts_mca1 OutputCounts_mca2 OutputCounts_mca3 OutputCounts_mca4 Ca_Ka_mca1 Ca_Ka_mca2 Ca_Ka_mca3 Ca_Ka_mca4 V_Ka_mca1 V_Ka_mca2 V_Ka_mca3 V_Ka_mca4 Clock_mca1 Clock_mca2 Clock_mca3 Clock_mca4 DTFactor_mca1 DTFactor_mca2 DTFactor_mca3 DTFactor_mca4 + 5365.017136 24999459.000000 11406222.000000 46808.000000 373.000000 121379.000000 106887.000000 123834.000000 162107.000000 83542.000000 70851.000000 81242.000000 107695.000000 127.000000 465.000000 329.000000 378.000000 39994374.000000 39994374.000000 39994374.000000 39994374.000000 1.020202 1.017210 1.023061 1.026699 + 5367.512920 24999400.000000 11290238.000000 46725.000000 374.000000 120767.000000 106036.000000 122153.000000 160504.000000 83183.000000 70047.000000 79611.000000 106267.000000 107.000000 482.000000 357.000000 352.000000 39994280.000000 39994280.000000 39994280.000000 39994280.000000 1.020082 1.017065 1.022739 1.026420 + 5370.016624 24999532.000000 11246546.000000 46693.000000 374.000000 120141.000000 105553.000000 121440.000000 159777.000000 82482.000000 69918.000000 79454.000000 106217.000000 106.000000 419.000000 337.000000 410.000000 39994490.000000 39994490.000000 39994490.000000 39994490.000000 1.019973 1.016984 1.022602 1.026293 + 5372.518332 24999237.000000 11389807.000000 46658.000000 374.000000 121360.000000 107371.000000 123243.000000 162404.000000 83292.000000 70582.000000 80747.000000 107531.000000 123.000000 439.000000 322.000000 411.000000 39994018.000000 39994018.000000 39994018.000000 39994018.000000 1.020194 1.017285 1.022949 1.026741 + 5375.018938 24999412.000000 11381150.000000 46752.000000 373.000000 121255.000000 107515.000000 122852.000000 162516.000000 83476.000000 70881.000000 80680.000000 107381.000000 118.000000 504.000000 329.000000 370.000000 39994299.000000 39994299.000000 39994299.000000 39994299.000000 1.020179 1.017308 1.022877 1.026764 + 5377.518435 24999472.000000 11346461.000000 46762.000000 373.000000 120738.000000 106740.000000 122668.000000 161908.000000 82990.000000 70294.000000 80314.000000 107409.000000 127.000000 470.000000 328.000000 383.000000 39994395.000000 39994395.000000 39994395.000000 39994395.000000 1.020085 1.017180 1.022836 1.026652 + 5380.020440 24999393.000000 11464821.000000 46797.000000 372.000000 122025.000000 107963.000000 123577.000000 163486.000000 83792.000000 71196.000000 80998.000000 108570.000000 124.000000 484.000000 348.000000 409.000000 39994268.000000 39994268.000000 39994268.000000 39994268.000000 1.020309 1.017382 1.023015 1.026925 + 5382.520422 24999370.000000 11439288.000000 46851.000000 372.000000 122661.000000 107710.000000 123604.000000 163221.000000 84204.000000 71158.000000 81018.000000 107944.000000 132.000000 432.000000 333.000000 388.000000 39994231.000000 39994231.000000 39994231.000000 39994231.000000 1.020409 1.017341 1.023019 1.026883 + 5385.020186 24999508.000000 11480728.000000 46765.000000 372.000000 122923.000000 107804.000000 124544.000000 163770.000000 84462.000000 70974.000000 81439.000000 108659.000000 138.000000 477.000000 368.000000 394.000000 39994452.000000 39994452.000000 39994452.000000 39994452.000000 1.020460 1.017362 1.023199 1.026983 + 5387.519729 24999297.000000 11597986.000000 46728.000000 372.000000 124407.000000 109384.000000 124849.000000 164955.000000 85394.000000 72016.000000 81860.000000 109374.000000 124.000000 466.000000 358.000000 416.000000 39994114.000000 39994114.000000 39994114.000000 39994114.000000 1.020701 1.017613 1.023257 1.027177 + 5390.019954 24999436.000000 11643055.000000 46697.000000 372.000000 124887.000000 109453.000000 125673.000000 165943.000000 85580.000000 72169.000000 82674.000000 110046.000000 111.000000 470.000000 380.000000 405.000000 39994337.000000 39994337.000000 39994337.000000 39994337.000000 1.020794 1.017631 1.023417 1.027352 + 5392.520861 24999358.000000 11694859.000000 46700.000000 373.000000 125223.000000 110219.000000 126704.000000 166835.000000 86269.000000 72081.000000 82865.000000 110333.000000 128.000000 480.000000 348.000000 368.000000 39994212.000000 39994212.000000 39994212.000000 39994212.000000 1.020852 1.017755 1.023612 1.027501 + 5395.019714 24999717.000000 11624575.000000 46712.000000 372.000000 124401.000000 109453.000000 126034.000000 165953.000000 85328.000000 72441.000000 82811.000000 109732.000000 113.000000 460.000000 307.000000 398.000000 39994786.000000 39994786.000000 39994786.000000 39994786.000000 1.020711 1.017628 1.023481 1.027348 + 5397.521063 24999190.000000 11600140.000000 46820.000000 373.000000 123693.000000 108852.000000 125846.000000 165009.000000 84859.000000 71723.000000 82378.000000 109232.000000 134.000000 479.000000 350.000000 391.000000 39993944.000000 39993944.000000 39993944.000000 39993944.000000 1.020592 1.017532 1.023445 1.027192 + 5400.020346 24999441.000000 11694797.000000 46759.000000 373.000000 124881.000000 109664.000000 126790.000000 167092.000000 85458.000000 71839.000000 83076.000000 110228.000000 131.000000 506.000000 333.000000 399.000000 39994345.000000 39994345.000000 39994345.000000 39994345.000000 1.020797 1.017666 1.023627 1.027542 + 5402.519382 24999346.000000 11605083.000000 46695.000000 373.000000 124048.000000 109642.000000 126047.000000 165748.000000 85240.000000 72239.000000 82205.000000 109997.000000 136.000000 484.000000 340.000000 383.000000 39994193.000000 39994193.000000 39994193.000000 39994193.000000 1.020655 1.017660 1.023487 1.027316 + 5405.019996 24999430.000000 11711825.000000 46640.000000 373.000000 125925.000000 110497.000000 126962.000000 168020.000000 86297.000000 73015.000000 83061.000000 111003.000000 142.000000 559.000000 359.000000 419.000000 39994328.000000 39994328.000000 39994328.000000 39994328.000000 1.020962 1.017798 1.023658 1.027692 + 5407.520357 24999436.000000 11606286.000000 46667.000000 373.000000 124196.000000 108902.000000 125725.000000 165303.000000 85543.000000 71683.000000 82200.000000 109229.000000 129.000000 457.000000 351.000000 427.000000 39994337.000000 39994337.000000 39994337.000000 39994337.000000 1.020678 1.017541 1.023424 1.027243 + 5410.021378 24999471.000000 11637055.000000 46730.000000 373.000000 124634.000000 109301.000000 126295.000000 166362.000000 85607.000000 71648.000000 82691.000000 109970.000000 132.000000 447.000000 324.000000 410.000000 39994393.000000 39994393.000000 39994393.000000 39994393.000000 1.020754 1.017608 1.023533 1.027422 + 5412.521221 24999280.000000 11692305.000000 46701.000000 372.000000 125381.000000 110008.000000 126799.000000 166369.000000 86140.000000 72348.000000 82975.000000 110054.000000 119.000000 519.000000 337.000000 392.000000 39994087.000000 39994087.000000 39994087.000000 39994087.000000 1.020871 1.017719 1.023627 1.027421 + 5415.019878 24999508.000000 11631802.000000 46743.000000 373.000000 124686.000000 109913.000000 125869.000000 165748.000000 85831.000000 72392.000000 82231.000000 109876.000000 134.000000 533.000000 385.000000 433.000000 39994452.000000 39994452.000000 39994452.000000 39994452.000000 1.020750 1.017700 1.023450 1.027312 + 5417.520101 24999369.000000 11696274.000000 46750.000000 372.000000 125606.000000 110220.000000 126951.000000 166872.000000 86332.000000 72545.000000 83182.000000 110278.000000 156.000000 488.000000 382.000000 413.000000 39994229.000000 39994229.000000 39994229.000000 39994229.000000 1.020904 1.017752 1.023654 1.027504 + 5420.021891 24999556.000000 11745687.000000 46744.000000 373.000000 125237.000000 111276.000000 127559.000000 167515.000000 85852.000000 73177.000000 83126.000000 110754.000000 136.000000 526.000000 346.000000 439.000000 39994529.000000 39994529.000000 39994529.000000 39994529.000000 1.020858 1.017925 1.023773 1.027616 + 5422.521563 24999579.000000 11659220.000000 46749.000000 373.000000 124737.000000 109927.000000 126606.000000 166271.000000 85552.000000 72524.000000 82619.000000 109740.000000 116.000000 501.000000 345.000000 425.000000 39994566.000000 39994566.000000 39994566.000000 39994566.000000 1.020762 1.017703 1.023587 1.027399 + 5425.020952 24999130.000000 11610125.000000 46618.000000 374.000000 124598.000000 110187.000000 125284.000000 166735.000000 85462.000000 72548.000000 81944.000000 110518.000000 116.000000 490.000000 357.000000 382.000000 39993848.000000 39993848.000000 39993848.000000 39993848.000000 1.020748 1.017748 1.023345 1.027479 + 5427.522823 24999430.000000 11664415.000000 46661.000000 374.000000 125367.000000 110588.000000 126953.000000 167280.000000 85821.000000 72995.000000 82970.000000 110873.000000 145.000000 487.000000 431.000000 425.000000 39994328.000000 39994328.000000 39994328.000000 39994328.000000 1.020873 1.017813 1.023657 1.027574 + 5430.022558 24999375.000000 11683471.000000 46696.000000 374.000000 125793.000000 109902.000000 126827.000000 167048.000000 86137.000000 72494.000000 82887.000000 110931.000000 141.000000 478.000000 378.000000 463.000000 39994240.000000 39994240.000000 39994240.000000 39994240.000000 1.020937 1.017701 1.023632 1.027531 + 5432.521998 24999376.000000 11688866.000000 46742.000000 373.000000 125492.000000 110241.000000 126707.000000 166804.000000 85815.000000 72608.000000 82865.000000 110255.000000 146.000000 519.000000 421.000000 434.000000 39994241.000000 39994241.000000 39994241.000000 39994241.000000 1.020900 1.017762 1.023616 1.027503 + 5435.022990 24999424.000000 11565366.000000 46683.000000 374.000000 123969.000000 109038.000000 125125.000000 165161.000000 85314.000000 71933.000000 81671.000000 109055.000000 144.000000 473.000000 385.000000 489.000000 39994318.000000 39994318.000000 39994318.000000 39994318.000000 1.020636 1.017560 1.023310 1.027215 + 5437.522753 24999789.000000 11551069.000000 46704.000000 374.000000 124330.000000 109231.000000 125059.000000 165203.000000 85380.000000 71889.000000 81643.000000 109364.000000 147.000000 481.000000 377.000000 461.000000 39994902.000000 39994902.000000 39994902.000000 39994902.000000 1.020699 1.017594 1.023302 1.027230 + 5440.022209 24998986.000000 11568706.000000 46693.000000 374.000000 123937.000000 109633.000000 125107.000000 164900.000000 84924.000000 72506.000000 81592.000000 109027.000000 141.000000 476.000000 424.000000 407.000000 39993616.000000 39993616.000000 39993616.000000 39993616.000000 1.020631 1.017655 1.023307 1.027175 + 5442.523210 24999412.000000 11542284.000000 46691.000000 373.000000 124098.000000 110031.000000 125223.000000 165890.000000 85124.000000 72213.000000 81883.000000 109803.000000 148.000000 531.000000 362.000000 429.000000 39994298.000000 39994298.000000 39994298.000000 39994298.000000 1.020664 1.017722 1.023333 1.027338 + 5445.022968 24999465.000000 11556790.000000 46702.000000 374.000000 124195.000000 109388.000000 125060.000000 165395.000000 85529.000000 71933.000000 81675.000000 109125.000000 166.000000 465.000000 377.000000 433.000000 39994383.000000 39994383.000000 39994383.000000 39994383.000000 1.020667 1.017614 1.023295 1.027250 + 5447.522406 24999388.000000 11497434.000000 46689.000000 374.000000 123124.000000 109221.000000 124527.000000 164676.000000 84819.000000 71684.000000 81702.000000 108975.000000 143.000000 498.000000 406.000000 438.000000 39994260.000000 39994260.000000 39994260.000000 39994260.000000 1.020498 1.017589 1.023197 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24999418.000000 11373054.000000 46716.000000 374.000000 122026.000000 107673.000000 123782.000000 162390.000000 83543.000000 70859.000000 80891.000000 107277.000000 187.000000 510.000000 390.000000 470.000000 39994308.000000 39994308.000000 39994308.000000 39994308.000000 1.020309 1.017337 1.023054 1.026751 + 5455.324932 24999315.000000 11492919.000000 46673.000000 374.000000 123598.000000 108558.000000 124335.000000 164387.000000 84523.000000 71237.000000 81233.000000 108621.000000 183.000000 522.000000 397.000000 494.000000 39994143.000000 39994143.000000 39994143.000000 39994143.000000 1.020573 1.017483 1.023161 1.027087 + 5455.478035 24999424.000000 11559794.000000 46700.000000 375.000000 124536.000000 109137.000000 125709.000000 164649.000000 85221.000000 71974.000000 82105.000000 109069.000000 169.000000 541.000000 367.000000 453.000000 39994318.000000 39994318.000000 39994318.000000 39994318.000000 1.020731 1.017579 1.023422 1.027140 + 5455.629279 24999490.000000 11574828.000000 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109263.000000 144769.000000 67215.000000 56840.000000 63793.000000 85439.000000 8123.000000 7392.000000 8219.000000 10076.000000 39994164.000000 39994164.000000 39994164.000000 39994164.000000 1.018236 1.015611 1.020328 1.023837 + 5732.595301 24999507.000000 9217324.000000 46626.000000 375.000000 107533.000000 94900.000000 107735.000000 143342.000000 65846.000000 55737.000000 62872.000000 84475.000000 8035.000000 7377.000000 8182.000000 10083.000000 39994451.000000 39994451.000000 39994451.000000 39994451.000000 1.017904 1.015277 1.020038 1.023587 diff --git a/conversion_examples/MultiElementFluor/V_XANES_ap12_new.001 b/conversion_examples/MultiElementFluor/V_XANES_ap12_new.001 new file mode 100644 index 0000000..f01f040 --- /dev/null +++ b/conversion_examples/MultiElementFluor/V_XANES_ap12_new.001 @@ -0,0 +1,460 @@ +# XDI/1.1 +# Column.1: energy eV +# Column.2: norm +# Column.3: ifluor +# Column.4: i0 +# Column.5: tscaler +# Column.6: i1 +# Column.7: i2 +# Column.8: outputcounts_mca1 +# Column.9: outputcounts_mca2 +# Column.10: outputcounts_mca3 +# Column.11: outputcounts_mca4 +# Column.12: ca_ka_mca1 +# Column.13: ca_ka_mca2 +# Column.14: ca_ka_mca3 +# Column.15: ca_ka_mca4 +# Column.16: v_ka_mca1 +# Column.17: v_ka_mca2 +# Column.18: v_ka_mca3 +# Column.19: v_ka_mca4 +# Column.20: clock_mca1 +# Column.21: clock_mca2 +# Column.22: clock_mca3 +# Column.23: clock_mca4 +# Column.24: dtfactor_mca1 +# Column.25: dtfactor_mca2 +# Column.26: dtfactor_mca3 +# Column.27: dtfactor_mca4 +# Legend.End: here +# Scan.end_time: 2018-11-27 07:41:23 +# ExtraPVs.Start: Family.Member: Value | PV +# Beamline.FOE_Slit_HPos: 0.0250 || 13IDA:m5.VAL +# Beamline.FOE_Slit_HWid: 0.8000 || 13IDA:m6.VAL +# Beamline.FOE_Slit_VPos: -0.1250 || 13IDA:m7.VAL +# Beamline.FOE_Slit_VWid: 0.2500 || 13IDA:m8.VAL +# Beamline.FluxEstimate: 1.640e+12 || 13XRM:ION:FluxOut.VAL +# Beamline.I0_Sensitivity_Number: 100 || 13IDE:A1sens_num.VAL +# Beamline.I0_Sensitivity_Unit: nA/V || 13IDE:A1sens_unit.VAL +# Beamline.I1_Sensitivity_Number: 200 || 13IDE:A2sens_num.VAL +# Beamline.I1_Sensitivity_Unit: nA/V || 13IDE:A2sens_unit.VAL +# Beamline.I2_Sensitivity_Number: 20 || 13IDE:A3sens_num.VAL +# Beamline.I2_Sensitivity_Unit: nA/V || 13IDE:A3sens_unit.VAL +# Beamline.SSA_Slit_HPos: 0 || 13IDA:m69.VAL +# Beamline.SSA_Slit_HWid: 0.0500 || 13IDA:m70.VAL +# Beamline.SSA_Slit_VPos: 0.7500 || 13IDA:m71.VAL +# Beamline.SSA_Slit_VWid: 0.3000 || 13IDA:m72.VAL +# DetectorStage.X: 15380.0 || 13IDE:m34.VAL +# DetectorStage.Y: 291.740 || 13IDE:m4.VAL +# DetectorStage.Z: 125.0000 || 13IDE:m19.VAL +# Facility.Ring_Current: 86.4 || S:SRcurrentAI.VAL +# Facility.Ring_Lifetime: 81.0 || S:SRlifeTimeHrsCC.VAL +# Monochromator.d_spacing: 3.13477 || 13IDE:En:dspace.VAL +# Monochromator.height: 24.90000 || 13IDE:En:height.VAL +# Monochromator.theta_offset: 17.54913 || 13IDA:m65.OFF +# Monochromator.xtal2_pitch: -0.1160 || 13IDA:m67.VAL +# Monochromator.xtal2_rol: 1.0400 || 13IDA:m68.VAL +# Monochromator.xtal2_y: 13.3075 || 13IDA:m66.VAL +# Monochromator.xtal2_y_off: 11.6000 || 13IDA:m66.OFF +# SampleStage.CoarseX: 130.7285 || 13XRM:m4.VAL +# SampleStage.CoarseY: 89.3002 || 13XRM:m5.VAL +# SampleStage.CoarseZ: 211.0609 || 13XRM:m6.VAL +# SampleStage.FineX: -0.73200 || 13XRM:m1.VAL +# SampleStage.FineY: -0.46400 || 13XRM:m2.VAL +# SampleStage.Theta: 0 || 13XRM:m3.VAL +# Undulator.Energy: 5.803 || ID13us:Energy.VAL +# Monochromator.Energy: 5600.00000 || 13IDE:En:Energy.VAL +# ExtraPVs.End: here +# ScanParameters.Start: Scan.Member: Value +# ScanParameters.ScanType: xafs +# ScanParameters.element: V +# ScanParameters.edge: K +# ScanParameters.E0: 5465.000 +# ScanParameters.Legend: Start, Stop, Step, K-space, Time +# ScanParameters.Region1: -100.000, -10.000, 2.500 False 0.50 +# ScanParameters.Region2: -10.000, 25.008, 0.150 False 0.50 +# ScanParameters.Region3: 2.562, 8.500, 0.060 True 0.50 +# ScanParameters.End: here +# Process.program: xraylarch +# Process.version: 0.9.80 +# Process.command: pre_edge(data, nvict=0, pre1=-150, pre2=-50, norm1=150, norm2=750, make_flat=True) +# Process.step1: using col1..col27 for 27 from arrays in rawdata +# Process.step2: energy = col1 # column 1: energy (eV) +# Process.step3: i0 = col4 # column 4: incident beam intensity +# Process.step4: # fluorescence: sum 4 channels, with deadtime corection from columns in the data +# Process.step5: ifluor = col16*col24+col17*col25+col18*col26+col19*col27 +# Process.step6: mu = iflour/i0 +# Process.step7: edge_step = 0.004052175 +# Process.step8: pre_edge = -5.131587e-4 + 1.173079e-7*energy +# Process.step9: intensity = norm = (mu - pre_edge) /edge_step +# /// Users Comments /// +# +#--------------------------------- +# energy norm ifluor i0 tscaler i1 i2 outputcounts_mca1 outputcounts_mca2 outputcounts_mca3 outputcounts_mca4 ca_ka_mca1 ca_ka_mca2 ca_ka_mca3 ca_ka_mca4 v_ka_mca1 v_ka_mca2 v_ka_mca3 v_ka_mca4 clock_mca1 clock_mca2 clock_mca3 clock_mca4 dtfactor_mca1 dtfactor_mca2 dtfactor_mca3 dtfactor_mca4 + 5365.01713600 0.00003991263 1327.24759500 11406222.0000 24999459.0000 46808.0000000 373.000000000 121379.000000 106887.000000 123834.000000 162107.000000 83542.0000000 70851.0000000 81242.0000000 107695.000000 127.000000000 465.000000000 329.000000000 378.000000000 39994374.0000 39994374.0000 39994374.0000 39994374.0000 1.02020200000 1.01721000000 1.02306100000 1.02669900000 + 5367.51292000 0.00023083648 1325.79176700 11290238.0000 24999400.0000 46725.0000000 374.000000000 120767.000000 106036.000000 122153.000000 160504.000000 83183.0000000 70047.0000000 79611.0000000 106267.000000 107.000000000 482.000000000 357.000000000 352.000000000 39994280.0000 39994280.0000 39994280.0000 39994280.0000 1.02008200000 1.01706500000 1.02273900000 1.02642000000 + 5370.01662400 -0.00030311632 1299.63043800 11246546.0000 24999532.0000 46693.0000000 374.000000000 120141.000000 105553.000000 121440.000000 159777.000000 82482.0000000 69918.0000000 79454.0000000 106217.000000 106.000000000 419.000000000 337.000000000 410.000000000 39994490.0000 39994490.0000 39994490.0000 39994490.0000 1.01997300000 1.01698400000 1.02260200000 1.02629300000 + 5372.51833200 -0.00021809306 1323.45210600 11389807.0000 24999237.0000 46658.0000000 374.000000000 121360.000000 107371.000000 123243.000000 162404.000000 83292.0000000 70582.0000000 80747.0000000 107531.000000 123.000000000 439.000000000 322.000000000 411.000000000 39994018.0000 39994018.0000 39994018.0000 39994018.0000 1.02019400000 1.01728500000 1.02294900000 1.02674100000 + 5375.01893800 0.00029686001 1349.53356700 11381150.0000 24999412.0000 46752.0000000 373.000000000 121255.000000 107515.000000 122852.000000 162516.000000 83476.0000000 70881.0000000 80680.0000000 107381.000000 118.000000000 504.000000000 329.000000000 370.000000000 39994299.0000 39994299.0000 39994299.0000 39994299.0000 1.02017900000 1.01730800000 1.02287700000 1.02676400000 + 5377.51843500 0.00002664593 1336.32331900 11346461.0000 24999472.0000 46762.0000000 373.000000000 120738.000000 106740.000000 122668.000000 161908.000000 82990.0000000 70294.0000000 80314.0000000 107409.000000 127.000000000 470.000000000 328.000000000 383.000000000 39994395.0000 39994395.0000 39994395.0000 39994395.0000 1.02008500000 1.01718000000 1.02283600000 1.02665200000 + 5380.02044000 0.00091616216 1394.95274900 11464821.0000 24999393.0000 46797.0000000 372.000000000 122025.000000 107963.000000 123577.000000 163486.000000 83792.0000000 71196.0000000 80998.0000000 108570.000000 124.000000000 484.000000000 348.000000000 409.000000000 39994268.0000 39994268.0000 39994268.0000 39994268.0000 1.02030900000 1.01738200000 1.02301500000 1.02692500000 + 5382.52042200 -0.00085109925 1313.28123100 11439288.0000 24999370.0000 46851.0000000 372.000000000 122661.000000 107710.000000 123604.000000 163221.000000 84204.0000000 71158.0000000 81018.0000000 107944.000000 132.000000000 432.000000000 333.000000000 388.000000000 39994231.0000 39994231.0000 39994231.0000 39994231.0000 1.02040900000 1.01734100000 1.02301900000 1.02688300000 + 5385.02018600 0.00099466150 1407.27368800 11480728.0000 24999508.0000 46765.0000000 372.000000000 122923.000000 107804.000000 124544.000000 163770.000000 84462.0000000 70974.0000000 81439.0000000 108659.000000 138.000000000 477.000000000 368.000000000 394.000000000 39994452.0000 39994452.0000 39994452.0000 39994452.0000 1.02046000000 1.01736200000 1.02319900000 1.02698300000 + 5387.51972900 0.00034267779 1394.40622000 11597986.0000 24999297.0000 46728.0000000 372.000000000 124407.000000 109384.000000 124849.000000 164955.000000 85394.0000000 72016.0000000 81860.0000000 109374.000000 124.000000000 466.000000000 358.000000000 416.000000000 39994114.0000 39994114.0000 39994114.0000 39994114.0000 1.02070100000 1.01761300000 1.02325700000 1.02717700000 + 5390.01995400 0.00020132615 1396.57072400 11643055.0000 24999436.0000 46697.0000000 372.000000000 124887.000000 109453.000000 125673.000000 165943.000000 85580.0000000 72169.0000000 82674.0000000 110046.000000 111.000000000 470.000000000 380.000000000 405.000000000 39994337.0000 39994337.0000 39994337.0000 39994337.0000 1.02079400000 1.01763100000 1.02341700000 1.02735200000 + 5392.52086100 -0.00091045214 1353.52880000 11694859.0000 24999358.0000 46700.0000000 373.000000000 125223.000000 110219.000000 126704.000000 166835.000000 86269.0000000 72081.0000000 82865.0000000 110333.000000 128.000000000 480.000000000 348.000000000 368.000000000 39994212.0000 39994212.0000 39994212.0000 39994212.0000 1.02085200000 1.01775500000 1.02361200000 1.02750100000 + 5395.01971400 -0.00180759006 1306.54239400 11624575.0000 24999717.0000 46712.0000000 372.000000000 124401.000000 109453.000000 126034.000000 165953.000000 85328.0000000 72441.0000000 82811.0000000 109732.000000 113.000000000 460.000000000 307.000000000 398.000000000 39994786.0000 39994786.0000 39994786.0000 39994786.0000 1.02071100000 1.01762800000 1.02348100000 1.02734800000 + 5397.52106300 -0.00017385221 1383.99497800 11600140.0000 24999190.0000 46820.0000000 373.000000000 123693.000000 108852.000000 125846.000000 165009.000000 84859.0000000 71723.0000000 82378.0000000 109232.000000 134.000000000 479.000000000 350.000000000 391.000000000 39993944.0000 39993944.0000 39993944.0000 39993944.0000 1.02059200000 1.01753200000 1.02344500000 1.02719200000 + 5400.02034600 -0.00015690016 1399.52045200 11694797.0000 24999441.0000 46759.0000000 373.000000000 124881.000000 109664.000000 126790.000000 167092.000000 85458.0000000 71839.0000000 83076.0000000 110228.000000 131.000000000 506.000000000 333.000000000 399.000000000 39994345.0000 39994345.0000 39994345.0000 39994345.0000 1.02079700000 1.01766600000 1.02362700000 1.02754200000 + 5402.51938200 -0.00056906356 1372.80412800 11605083.0000 24999346.0000 46695.0000000 373.000000000 124048.000000 109642.000000 126047.000000 165748.000000 85240.0000000 72239.0000000 82205.0000000 109997.000000 136.000000000 484.000000000 340.000000000 383.000000000 39994193.0000 39994193.0000 39994193.0000 39994193.0000 1.02065500000 1.01766000000 1.02348700000 1.02731600000 + 5405.01999600 0.00202595416 1512.02185600 11711825.0000 24999430.0000 46640.0000000 373.000000000 125925.000000 110497.000000 126962.000000 168020.000000 86297.0000000 73015.0000000 83061.0000000 111003.000000 142.000000000 559.000000000 359.000000000 419.000000000 39994328.0000 39994328.0000 39994328.0000 39994328.0000 1.02096200000 1.01779800000 1.02365800000 1.02769200000 + 5407.52035700 -0.00025473741 1394.53828400 11606286.0000 24999436.0000 46667.0000000 373.000000000 124196.000000 108902.000000 125725.000000 165303.000000 85543.0000000 71683.0000000 82200.0000000 109229.000000 129.000000000 457.000000000 351.000000000 427.000000000 39994337.0000 39994337.0000 39994337.0000 39994337.0000 1.02067800000 1.01754100000 1.02342400000 1.02724300000 + 5410.02137800 -0.00150955634 1342.47801600 11637055.0000 24999471.0000 46730.0000000 373.000000000 124634.000000 109301.000000 126295.000000 166362.000000 85607.0000000 71648.0000000 82691.0000000 109970.000000 132.000000000 447.000000000 324.000000000 410.000000000 39994393.0000 39994393.0000 39994393.0000 39994393.0000 1.02075400000 1.01760800000 1.02353300000 1.02742200000 + 5412.52122100 -0.00055743999 1397.39114100 11692305.0000 24999280.0000 46701.0000000 372.000000000 125381.000000 110008.000000 126799.000000 166369.000000 86140.0000000 72348.0000000 82975.0000000 110054.000000 119.000000000 519.000000000 337.000000000 392.000000000 39994087.0000 39994087.0000 39994087.0000 39994087.0000 1.02087100000 1.01771900000 1.02362700000 1.02742100000 + 5415.01987800 0.00208394563 1518.06894600 11631802.0000 24999508.0000 46743.0000000 373.000000000 124686.000000 109913.000000 125869.000000 165748.000000 85831.0000000 72392.0000000 82231.0000000 109876.000000 134.000000000 533.000000000 385.000000000 433.000000000 39994452.0000 39994452.0000 39994452.0000 39994452.0000 1.02075000000 1.01770000000 1.02345000000 1.02731200000 + 5417.52010100 0.00084764943 1471.31898000 11696274.0000 24999369.0000 46750.0000000 372.000000000 125606.000000 110220.000000 126951.000000 166872.000000 86332.0000000 72545.0000000 83182.0000000 110278.000000 156.000000000 488.000000000 382.000000000 413.000000000 39994229.0000 39994229.0000 39994229.0000 39994229.0000 1.02090400000 1.01775200000 1.02365400000 1.02750400000 + 5420.02189100 0.00081891084 1479.61412000 11745687.0000 24999556.0000 46744.0000000 373.000000000 125237.000000 111276.000000 127559.000000 167515.000000 85852.0000000 73177.0000000 83126.0000000 110754.000000 136.000000000 526.000000000 346.000000000 439.000000000 39994529.0000 39994529.0000 39994529.0000 39994529.0000 1.02085800000 1.01792500000 1.02377300000 1.02761600000 + 5422.52156300 -0.00032577607 1418.05968500 11659220.0000 24999579.0000 46749.0000000 373.000000000 124737.000000 109927.000000 126606.000000 166271.000000 85552.0000000 72524.0000000 82619.0000000 109740.000000 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67215.0000000 56840.0000000 63793.0000000 85439.0000000 8123.00000000 7392.00000000 8219.00000000 10076.0000000 39994164.0000 39994164.0000 39994164.0000 39994164.0000 1.01823600000 1.01561100000 1.02032800000 1.02383700000 + 5732.59530100 0.87996385094 34335.3357060 9217324.00000 24999507.0000 46626.0000000 375.000000000 107533.000000 94900.0000000 107735.000000 143342.000000 65846.0000000 55737.0000000 62872.0000000 84475.0000000 8035.00000000 7377.00000000 8182.00000000 10083.0000000 39994451.0000 39994451.0000 39994451.0000 39994451.0000 1.01790400000 1.01527700000 1.02003800000 1.02358700000 diff --git a/conversion_examples/MultiElementFluor/V_XANES_ap1_new.001 b/conversion_examples/MultiElementFluor/V_XANES_ap1_new.001 new file mode 100644 index 0000000..4213784 --- /dev/null +++ b/conversion_examples/MultiElementFluor/V_XANES_ap1_new.001 @@ -0,0 +1,460 @@ +# XDI/1.1 +# Column.1: energy eV +# Column.2: norm +# Column.3: ifluor +# Column.4: i0 +# Column.5: tscaler +# Column.6: i1 +# Column.7: i2 +# Column.8: outputcounts_mca1 +# Column.9: outputcounts_mca2 +# Column.10: outputcounts_mca3 +# Column.11: outputcounts_mca4 +# Column.12: ca_ka_mca1 +# Column.13: ca_ka_mca2 +# Column.14: ca_ka_mca3 +# Column.15: ca_ka_mca4 +# Column.16: v_ka_mca1 +# Column.17: v_ka_mca2 +# Column.18: v_ka_mca3 +# Column.19: v_ka_mca4 +# Column.20: clock_mca1 +# Column.21: clock_mca2 +# Column.22: clock_mca3 +# Column.23: clock_mca4 +# Column.24: dtfactor_mca1 +# Column.25: dtfactor_mca2 +# Column.26: dtfactor_mca3 +# Column.27: dtfactor_mca4 +# Legend.End: here +# Scan.end_time: 2018-11-27 07:04:27 +# ExtraPVs.Start: Family.Member: Value | PV +# Beamline.FOE_Slit_HPos: 0.0250 || 13IDA:m5.VAL +# Beamline.FOE_Slit_HWid: 0.8000 || 13IDA:m6.VAL +# Beamline.FOE_Slit_VPos: -0.1250 || 13IDA:m7.VAL +# Beamline.FOE_Slit_VWid: 0.2500 || 13IDA:m8.VAL +# Beamline.FluxEstimate: 1.313e+12 || 13XRM:ION:FluxOut.VAL +# Beamline.I0_Sensitivity_Number: 100 || 13IDE:A1sens_num.VAL +# Beamline.I0_Sensitivity_Unit: nA/V || 13IDE:A1sens_unit.VAL +# Beamline.I1_Sensitivity_Number: 200 || 13IDE:A2sens_num.VAL +# Beamline.I1_Sensitivity_Unit: nA/V || 13IDE:A2sens_unit.VAL +# Beamline.I2_Sensitivity_Number: 20 || 13IDE:A3sens_num.VAL +# Beamline.I2_Sensitivity_Unit: nA/V || 13IDE:A3sens_unit.VAL +# Beamline.SSA_Slit_HPos: 0 || 13IDA:m69.VAL +# Beamline.SSA_Slit_HWid: 0.0500 || 13IDA:m70.VAL +# Beamline.SSA_Slit_VPos: 0.7500 || 13IDA:m71.VAL +# Beamline.SSA_Slit_VWid: 0.3000 || 13IDA:m72.VAL +# DetectorStage.X: 15380.0 || 13IDE:m34.VAL +# DetectorStage.Y: 291.740 || 13IDE:m4.VAL +# DetectorStage.Z: 125.0000 || 13IDE:m19.VAL +# Facility.Ring_Current: 87.1 || S:SRcurrentAI.VAL +# Facility.Ring_Lifetime: 72.2 || S:SRlifeTimeHrsCC.VAL +# Monochromator.d_spacing: 3.13477 || 13IDE:En:dspace.VAL +# Monochromator.height: 24.90000 || 13IDE:En:height.VAL +# Monochromator.theta_offset: 17.54913 || 13IDA:m65.OFF +# Monochromator.xtal2_pitch: -0.1160 || 13IDA:m67.VAL +# Monochromator.xtal2_rol: 1.0400 || 13IDA:m68.VAL +# Monochromator.xtal2_y: 13.3075 || 13IDA:m66.VAL +# Monochromator.xtal2_y_off: 11.6000 || 13IDA:m66.OFF +# SampleStage.CoarseX: 130.7285 || 13XRM:m4.VAL +# SampleStage.CoarseY: 89.3002 || 13XRM:m5.VAL +# SampleStage.CoarseZ: 211.0609 || 13XRM:m6.VAL +# SampleStage.FineX: 0.18404 || 13XRM:m1.VAL +# SampleStage.FineY: 0.42800 || 13XRM:m2.VAL +# SampleStage.Theta: 0 || 13XRM:m3.VAL +# Undulator.Energy: 5.760 || ID13us:Energy.VAL +# Monochromator.Energy: 5599.50000 || 13IDE:En:Energy.VAL +# ExtraPVs.End: here +# ScanParameters.Start: Scan.Member: Value +# ScanParameters.ScanType: xafs +# ScanParameters.element: V +# ScanParameters.edge: K +# ScanParameters.E0: 5465.000 +# ScanParameters.Legend: Start, Stop, Step, K-space, Time +# ScanParameters.Region1: -100.000, -10.000, 2.500 False 0.50 +# ScanParameters.Region2: -10.000, 25.008, 0.150 False 0.50 +# ScanParameters.Region3: 2.562, 8.500, 0.060 True 0.50 +# ScanParameters.End: here +# Process.program: xraylarch +# Process.version: 0.9.80 +# Process.command: pre_edge(data, nvict=0, pre1=-150, pre2=-50, norm1=150, norm2=750, make_flat=True) +# Process.step1: using col1..col27 for 27 from arrays in rawdata +# Process.step2: energy = col1 # column 1: energy (eV) +# Process.step3: i0 = col4 # column 4: incident beam intensity +# Process.step4: # fluorescence: sum 4 channels, with deadtime corection from columns in the data +# Process.step5: ifluor = col16*col24+col17*col25+col18*col26+col19*col27 +# Process.step6: mu = iflour/i0 +# Process.step7: edge_step = 0.008918203 +# Process.step8: pre_edge = -3.817114e-4 + 9.133099e-8*energy +# Process.step9: intensity = norm = (mu - pre_edge) /edge_step +# /// Users Comments /// +# +#--------------------------------- +# energy norm ifluor i0 tscaler i1 i2 outputcounts_mca1 outputcounts_mca2 outputcounts_mca3 outputcounts_mca4 ca_ka_mca1 ca_ka_mca2 ca_ka_mca3 ca_ka_mca4 v_ka_mca1 v_ka_mca2 v_ka_mca3 v_ka_mca4 clock_mca1 clock_mca2 clock_mca3 clock_mca4 dtfactor_mca1 dtfactor_mca2 dtfactor_mca3 dtfactor_mca4 + 5365.01353400 0.00186345851 1255.25777200 10050161.0000 24999429.0000 47280.0000000 373.000000000 269548.000000 87397.0000000 102190.000000 139243.000000 185708.000000 58088.0000000 67423.0000000 92974.0000000 296.000000000 354.000000000 246.000000000 337.000000000 39994326.0000 39994326.0000 39994326.0000 39994326.0000 1.01668400000 1.01403700000 1.01895900000 1.02280800000 + 5367.51201900 -0.00074931379 1011.92020400 9937717.00000 24999316.0000 47296.0000000 374.000000000 100511.000000 86235.0000000 100887.000000 137737.000000 69108.0000000 57353.0000000 66686.0000000 92045.0000000 85.0000000000 343.000000000 262.000000000 304.000000000 39994146.0000 39994146.0000 39994146.0000 39994146.0000 1.01653000000 1.01385200000 1.01871700000 1.02256600000 + 5370.01933100 -0.00024937155 1048.46354200 9843452.00000 24999567.0000 47278.0000000 374.000000000 99581.0000000 85330.0000000 100588.000000 136891.000000 68710.0000000 56662.0000000 66144.0000000 91223.0000000 107.000000000 342.000000000 266.000000000 315.000000000 39994547.0000 39994547.0000 39994547.0000 39994547.0000 1.01639200000 1.01370300000 1.01865700000 1.02241400000 + 5372.52013800 0.00006539586 1090.44103800 9953878.00000 24999364.0000 47359.0000000 373.000000000 98787.0000000 86626.0000000 101253.000000 138315.000000 67871.0000000 57449.0000000 66739.0000000 91814.0000000 107.000000000 353.000000000 278.000000000 333.000000000 39994222.0000 39994222.0000 39994222.0000 39994222.0000 1.01647400000 1.01391400000 1.01878500000 1.02265600000 + 5375.01893800 0.00001460247 1087.23511000 9945018.00000 24999741.0000 47296.0000000 373.000000000 99217.0000000 86165.0000000 101118.000000 138760.000000 68323.0000000 57030.0000000 66399.0000000 92490.0000000 95.0000000000 373.000000000 286.000000000 314.000000000 39994826.0000 39994826.0000 39994826.0000 39994826.0000 1.01655500000 1.01383900000 1.01875800000 1.02272500000 + 5377.51934000 -0.00084509559 1008.77880500 9901054.00000 24998926.0000 47284.0000000 374.000000000 99726.0000000 85970.0000000 100838.000000 137648.000000 68922.0000000 56843.0000000 66556.0000000 91582.0000000 97.0000000000 340.000000000 260.000000000 294.000000000 39993521.0000 39993521.0000 39993521.0000 39993521.0000 1.01644900000 1.01380600000 1.01870400000 1.02253800000 + 5380.01953400 -0.00009675723 1089.61447400 10015927.0000 24999586.0000 47260.0000000 373.000000000 99119.0000000 86830.0000000 102279.000000 139387.000000 68584.0000000 57531.0000000 67107.0000000 92892.0000000 103.000000000 350.000000000 283.000000000 334.000000000 39994577.0000 39994577.0000 39994577.0000 39994577.0000 1.01678500000 1.01395200000 1.01898300000 1.02284500000 + 5382.51951500 -0.00023900106 1073.29162900 9961133.00000 24999279.0000 47245.0000000 374.000000000 101107.000000 86726.0000000 101558.000000 138199.000000 69773.0000000 57559.0000000 66713.0000000 91734.0000000 93.0000000000 345.000000000 265.000000000 351.000000000 39994086.0000 39994086.0000 39994086.0000 39994086.0000 1.01663700000 1.01393000000 1.01884000000 1.02263800000 + 5385.01837100 0.00027360921 1122.88411200 9976959.00000 24999460.0000 47214.0000000 374.000000000 100255.000000 86777.0000000 101015.000000 139243.000000 69139.0000000 57326.0000000 66387.0000000 92722.0000000 105.000000000 380.000000000 308.000000000 310.000000000 39994376.0000 39994376.0000 39994376.0000 39994376.0000 1.01664000000 1.01393700000 1.01873900000 1.02280400000 + 5387.51609400 -0.00022277163 1096.93053100 10124046.0000 24999399.0000 47251.0000000 373.000000000 100268.000000 88383.0000000 103128.000000 140871.000000 69096.0000000 58649.0000000 67923.0000000 93663.0000000 103.000000000 362.000000000 273.000000000 339.000000000 39994278.0000 39994278.0000 39994278.0000 39994278.0000 1.01685500000 1.01420200000 1.01914100000 1.02309100000 + 5390.01631600 -0.00022285132 1089.71882900 10036400.0000 24999502.0000 47250.0000000 374.000000000 101473.000000 87607.0000000 102332.000000 140129.000000 70186.0000000 58165.0000000 67158.0000000 93030.0000000 101.000000000 359.000000000 260.000000000 350.000000000 39994443.0000 39994443.0000 39994443.0000 39994443.0000 1.01675400000 1.01407500000 1.01899000000 1.02296100000 + 5392.51721900 0.00059816737 1172.07926500 10093074.0000 24999393.0000 47189.0000000 374.000000000 100900.000000 88022.0000000 102697.000000 140141.000000 69621.0000000 58577.0000000 67764.0000000 93163.0000000 120.000000000 401.000000000 274.000000000 356.000000000 39994268.0000 39994268.0000 39994268.0000 39994268.0000 1.01680700000 1.01413700000 1.01905400000 1.02295700000 + 5395.01697900 0.00024400627 1146.80774500 10131087.0000 24999304.0000 47246.0000000 373.000000000 101257.000000 88349.0000000 102950.000000 141249.000000 69740.0000000 58722.0000000 68032.0000000 93704.0000000 113.000000000 375.000000000 297.000000000 341.000000000 39994126.0000 39994126.0000 39994126.0000 39994126.0000 1.01695000000 1.01419500000 1.01910700000 1.02315100000 + 5397.51832600 -0.00019009384 1101.91056900 10058153.0000 24999465.0000 47294.0000000 374.000000000 102081.000000 87635.0000000 102391.000000 140874.000000 70391.0000000 58309.0000000 67267.0000000 93733.0000000 95.0000000000 370.000000000 282.000000000 335.000000000 39994384.0000 39994384.0000 39994384.0000 39994384.0000 1.01688100000 1.01408400000 1.01900700000 1.02309200000 + 5400.01943300 -0.00023087094 1096.77742900 10023671.0000 24999760.0000 47260.0000000 374.000000000 101637.000000 87433.0000000 102606.000000 139583.000000 70227.0000000 58006.0000000 67412.0000000 92792.0000000 100.000000000 358.000000000 278.000000000 341.000000000 39994855.0000 39994855.0000 39994855.0000 39994855.0000 1.01665500000 1.01403900000 1.01903500000 1.02285700000 + 5402.52029600 -8.05614925e-6 1105.47603900 9902660.00000 24999039.0000 47267.0000000 374.000000000 100365.000000 86207.0000000 100922.000000 138164.000000 69200.0000000 57162.0000000 66406.0000000 91921.0000000 113.000000000 378.000000000 279.000000000 316.000000000 39993702.0000 39993702.0000 39993702.0000 39993702.0000 1.01653700000 1.01384600000 1.01872200000 1.02262700000 + 5405.02182600 -0.00057192759 1058.88079900 9911459.00000 24999772.0000 47213.0000000 373.000000000 99644.0000000 86150.0000000 101198.000000 138162.000000 68718.0000000 57089.0000000 66487.0000000 92008.0000000 117.000000000 336.000000000 259.000000000 328.000000000 39994875.0000 39994875.0000 39994875.0000 39994875.0000 1.01656600000 1.01384400000 1.01877900000 1.02264400000 + 5407.52218900 -0.00002605798 1096.39530200 9795319.00000 24999153.0000 47245.0000000 374.000000000 99739.0000000 85328.0000000 99840.0000000 136579.000000 68863.0000000 56382.0000000 65909.0000000 91020.0000000 102.000000000 349.000000000 273.000000000 353.000000000 39993884.0000 39993884.0000 39993884.0000 39993884.0000 1.01634000000 1.01370000000 1.01851500000 1.02235900000 + 5410.01954400 -0.00034543051 1078.03220700 9862120.00000 24999766.0000 47277.0000000 374.000000000 98488.0000000 85636.0000000 100312.000000 137890.000000 67841.0000000 56842.0000000 65999.0000000 91556.0000000 101.000000000 363.000000000 269.000000000 326.000000000 39994865.0000 39994865.0000 39994865.0000 39994865.0000 1.01654300000 1.01375600000 1.01860800000 1.02258400000 + 5412.51938500 -0.00041035582 1090.54199800 10008674.0000 24998997.0000 47272.0000000 374.000000000 99689.0000000 87404.0000000 101331.000000 140258.000000 68473.0000000 57942.0000000 66513.0000000 93448.0000000 110.000000000 360.000000000 282.000000000 319.000000000 39993635.0000 39993635.0000 39993635.0000 39993635.0000 1.01680700000 1.01404500000 1.01880800000 1.02298800000 + 5415.02355300 0.00013870220 1139.36366000 9986971.00000 24999345.0000 47325.0000000 373.000000000 101200.000000 86955.0000000 102181.000000 139110.000000 69908.0000000 57720.0000000 67408.0000000 92124.0000000 98.0000000000 401.000000000 261.000000000 359.000000000 39994192.0000 39994192.0000 39994192.0000 39994192.0000 1.01666900000 1.01396800000 1.01895800000 1.02278800000 + 5417.52378000 0.00066875774 1191.15398900 10006292.0000 24999502.0000 47216.0000000 374.000000000 100422.000000 86929.0000000 101502.000000 139311.000000 69425.0000000 57580.0000000 66811.0000000 92586.0000000 128.000000000 395.000000000 317.000000000 330.000000000 39994443.0000 39994443.0000 39994443.0000 39994443.0000 1.01667300000 1.01396600000 1.01883500000 1.02282600000 + 5420.02097100 -8.82331177e-6 1125.98549900 9944605.00000 24999453.0000 47291.0000000 374.000000000 100412.000000 86498.0000000 100911.000000 138222.000000 68993.0000000 57272.0000000 66268.0000000 92031.0000000 130.000000000 373.000000000 258.000000000 345.000000000 39994365.0000 39994365.0000 39994365.0000 39994365.0000 1.01663200000 1.01389300000 1.01872000000 1.02264200000 + 5422.52064200 0.00038271511 1160.55618500 9923874.00000 24999286.0000 47172.0000000 374.000000000 100231.000000 86508.0000000 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1.02260200000 + 5430.02348200 0.00033596232 1154.35739600 9848275.00000 24999189.0000 47256.0000000 373.000000000 99090.0000000 86116.0000000 101017.000000 138096.000000 68416.0000000 56688.0000000 66495.0000000 91821.0000000 120.000000000 396.000000000 278.000000000 340.000000000 39993943.0000 39993943.0000 39993943.0000 39993943.0000 1.01651100000 1.01383200000 1.01873800000 1.02261600000 + 5432.52199800 0.00112380870 1223.63314200 9830863.00000 24999489.0000 47289.0000000 374.000000000 99472.0000000 85977.0000000 100563.000000 137542.000000 68183.0000000 57281.0000000 66055.0000000 91597.0000000 141.000000000 393.000000000 298.000000000 370.000000000 39994422.0000 39994422.0000 39994422.0000 39994422.0000 1.01642500000 1.01380700000 1.01865200000 1.02252100000 + 5435.02206300 0.00066321584 1184.82721900 9825317.00000 24999370.0000 47217.0000000 374.000000000 98970.0000000 85129.0000000 100411.000000 137443.000000 68165.0000000 56627.0000000 66037.0000000 91550.0000000 120.000000000 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14104.0000000 12108.0000000 13923.0000000 17285.0000000 39994443.0000 39994443.0000 39994443.0000 39994443.0000 1.01561300000 1.01298700000 1.01719200000 1.02284400000 + 5721.22968500 0.87167062181 57644.2391760 7283325.00000 24999453.0000 47124.0000000 373.000000000 92970.0000000 78758.0000000 91235.0000000 138383.000000 49939.0000000 40543.0000000 46992.0000000 63897.0000000 13975.0000000 12153.0000000 13709.0000000 16821.0000000 39994364.0000 39994364.0000 39994364.0000 39994364.0000 1.01536200000 1.01274300000 1.01700000000 1.02280700000 + 5724.99216900 0.86223693004 57928.3356350 7397535.00000 24999262.0000 47150.0000000 374.000000000 91304.0000000 80184.0000000 91898.0000000 146461.000000 48719.0000000 41680.0000000 47333.0000000 62747.0000000 13735.0000000 12295.0000000 13775.0000000 17100.0000000 39994058.0000 39994058.0000 39994058.0000 39994058.0000 1.01552200000 1.01300700000 1.01716400000 1.02419800000 + 5728.78067400 0.86556915738 57169.6610240 7272730.00000 24999436.0000 47033.0000000 373.000000000 91723.0000000 78699.0000000 90222.0000000 163132.000000 49170.0000000 40821.0000000 46513.0000000 60110.0000000 13930.0000000 11945.0000000 13645.0000000 16597.0000000 39994337.0000 39994337.0000 39994337.0000 39994337.0000 1.01555000000 1.01288100000 1.01695700000 1.02716200000 + 5732.59737700 0.86316147022 56334.3879570 7185782.00000 24999513.0000 47060.0000000 374.000000000 90258.0000000 77417.0000000 89644.0000000 201055.000000 48674.0000000 39988.0000000 46112.0000000 58903.0000000 13570.0000000 11829.0000000 13372.0000000 16408.0000000 39994460.0000 39994460.0000 39994460.0000 39994460.0000 1.01597100000 1.01292700000 1.01708300000 1.03396600000 diff --git a/conversion_examples/MultiElementFluor/V_XANES_ap2.001 b/conversion_examples/MultiElementFluor/V_XANES_ap2.001 new file mode 100755 index 0000000..364631e --- /dev/null +++ b/conversion_examples/MultiElementFluor/V_XANES_ap2.001 @@ -0,0 +1,448 @@ +#XDI/1.1 Epics StepScan File / 2.0 +# Scan.start_time: 2018-11-27 07:04:42 +# Legend.Start: Column.N: Name units || EpicsPV +# Column.1: Energy eV || 13IDE:En:Energy.VAL +# Column.2: TSCALER counts || 13IDE:SIS1:mca1 +# Column.3: I0 counts || 13IDE:SIS1:mca2 +# Column.4: I1 counts || 13IDE:SIS1:mca3 +# Column.5: I2 counts || 13IDE:SIS1:mca4 +# Column.6: OutputCounts_mca1 counts || 13QX4:MCA1ROI:1:TSTotal +# Column.7: OutputCounts_mca2 counts || 13QX4:MCA2ROI:1:TSTotal +# Column.8: OutputCounts_mca3 counts || 13QX4:MCA3ROI:1:TSTotal +# Column.9: OutputCounts_mca4 counts || 13QX4:MCA4ROI:1:TSTotal +# Column.10: Ca_Ka_mca1 counts || 13QX4:MCA1ROI:7:TSTotal +# Column.11: Ca_Ka_mca2 counts || 13QX4:MCA2ROI:7:TSTotal +# Column.12: Ca_Ka_mca3 counts || 13QX4:MCA3ROI:7:TSTotal +# Column.13: Ca_Ka_mca4 counts || 13QX4:MCA4ROI:7:TSTotal +# Column.14: V_Ka_mca1 counts || 13QX4:MCA1ROI:10:TSTotal +# Column.15: V_Ka_mca2 counts || 13QX4:MCA2ROI:10:TSTotal +# Column.16: V_Ka_mca3 counts || 13QX4:MCA3ROI:10:TSTotal +# Column.17: V_Ka_mca4 counts || 13QX4:MCA4ROI:10:TSTotal +# Column.18: Clock_mca1 counts || 13QX4:C1SCA0:TSArrayValue +# Column.19: Clock_mca2 counts || 13QX4:C2SCA0:TSArrayValue +# Column.20: Clock_mca3 counts || 13QX4:C3SCA0:TSArrayValue +# Column.21: Clock_mca4 counts || 13QX4:C4SCA0:TSArrayValue +# Column.22: DTFactor_mca1 counts || 13QX4:C1SCA8:TSArrayValue +# Column.23: DTFactor_mca2 counts || 13QX4:C2SCA8:TSArrayValue +# Column.24: DTFactor_mca3 counts || 13QX4:C3SCA8:TSArrayValue +# Column.25: DTFactor_mca4 counts || 13QX4:C4SCA8:TSArrayValue +# Legend.End: here +# Scan.end_time: 2018-11-27 07:07:48 +# ExtraPVs.Start: Family.Member: Value | PV +# Beamline.FOE_Slit_HPos: 0.0250 || 13IDA:m5.VAL +# Beamline.FOE_Slit_HWid: 0.8000 || 13IDA:m6.VAL +# Beamline.FOE_Slit_VPos: -0.1250 || 13IDA:m7.VAL +# Beamline.FOE_Slit_VWid: 0.2500 || 13IDA:m8.VAL +# Beamline.FluxEstimate: 1.373e+12 || 13XRM:ION:FluxOut.VAL +# Beamline.I0_Sensitivity_Number: 100 || 13IDE:A1sens_num.VAL +# Beamline.I0_Sensitivity_Unit: nA/V || 13IDE:A1sens_unit.VAL +# Beamline.I1_Sensitivity_Number: 200 || 13IDE:A2sens_num.VAL +# Beamline.I1_Sensitivity_Unit: nA/V || 13IDE:A2sens_unit.VAL +# Beamline.I2_Sensitivity_Number: 20 || 13IDE:A3sens_num.VAL +# Beamline.I2_Sensitivity_Unit: nA/V || 13IDE:A3sens_unit.VAL +# Beamline.SSA_Slit_HPos: 0 || 13IDA:m69.VAL +# Beamline.SSA_Slit_HWid: 0.0500 || 13IDA:m70.VAL +# Beamline.SSA_Slit_VPos: 0.7500 || 13IDA:m71.VAL +# Beamline.SSA_Slit_VWid: 0.3000 || 13IDA:m72.VAL +# DetectorStage.X: 15380.0 || 13IDE:m34.VAL +# DetectorStage.Y: 291.740 || 13IDE:m4.VAL +# DetectorStage.Z: 125.0000 || 13IDE:m19.VAL +# Facility.Ring_Current: 87.1 || S:SRcurrentAI.VAL +# Facility.Ring_Lifetime: 72.1 || S:SRlifeTimeHrsCC.VAL +# Mono.dspacing: 3.13477 || 13IDE:En:dspace.VAL +# Mono.height: 24.90000 || 13IDE:En:height.VAL +# Mono.theta_offset: 17.54913 || 13IDA:m65.OFF +# Mono.xtal2_pitch: -0.1160 || 13IDA:m67.VAL +# Mono.xtal2_rol: 1.0400 || 13IDA:m68.VAL +# Mono.xtal2_y: 13.3075 || 13IDA:m66.VAL +# Mono.xtal2_y_off: 11.6000 || 13IDA:m66.OFF +# SampleStage.CoarseX: 130.7285 || 13XRM:m4.VAL +# SampleStage.CoarseY: 89.3002 || 13XRM:m5.VAL +# SampleStage.CoarseZ: 211.0609 || 13XRM:m6.VAL +# SampleStage.FineX: 0.18003 || 13XRM:m1.VAL +# SampleStage.FineY: 0.37600 || 13XRM:m2.VAL +# SampleStage.Theta: 0 || 13XRM:m3.VAL +# Undulator.Energy: 5.803 || ID13us:Energy.VAL +# Mono.Energy: 5599.50000 || 13IDE:En:Energy.VAL +# ExtraPVs.End: here +# ScanParameters.Start: Scan.Member: Value +# ScanParameters.ScanType: xafs +# ScanParameters.element: V +# ScanParameters.edge: K +# ScanParameters.E0: 5465.000 +# ScanParameters.Legend: Start, Stop, Step, K-space, Time +# ScanParameters.Region1: -100.000, -10.000, 2.500 False 0.50 +# ScanParameters.Region2: -10.000, 25.008, 0.150 False 0.50 +# ScanParameters.Region3: 2.562, 8.500, 0.060 True 0.50 +# ScanParameters.End: here +# /// Users Comments /// +# +# ------------------------ +# Energy TSCALER I0 I1 I2 OutputCounts_mca1 OutputCounts_mca2 OutputCounts_mca3 OutputCounts_mca4 Ca_Ka_mca1 Ca_Ka_mca2 Ca_Ka_mca3 Ca_Ka_mca4 V_Ka_mca1 V_Ka_mca2 V_Ka_mca3 V_Ka_mca4 Clock_mca1 Clock_mca2 Clock_mca3 Clock_mca4 DTFactor_mca1 DTFactor_mca2 DTFactor_mca3 DTFactor_mca4 + 5365.018037 24999964.000000 11323984.000000 47401.000000 373.000000 114398.000000 98601.000000 115479.000000 158079.000000 78737.000000 65305.000000 75674.000000 104562.000000 113.000000 399.000000 299.000000 391.000000 39995182.000000 39995182.000000 39995182.000000 39995182.000000 1.019032 1.015869 1.021480 1.025981 + 5367.513821 24999334.000000 11189539.000000 47284.000000 374.000000 112038.000000 97333.000000 113495.000000 154609.000000 76987.000000 64224.000000 74517.000000 102384.000000 100.000000 448.000000 305.000000 356.000000 39994174.000000 39994174.000000 39994174.000000 39994174.000000 1.018630 1.015657 1.021101 1.025394 + 5370.016624 24999069.000000 11074850.000000 47340.000000 373.000000 110664.000000 96264.000000 112052.000000 153418.000000 76102.000000 64015.000000 73143.000000 101600.000000 109.000000 403.000000 283.000000 361.000000 39993750.000000 39993750.000000 39993750.000000 39993750.000000 1.018402 1.015484 1.020830 1.025194 + 5372.519235 24999340.000000 11069434.000000 47304.000000 374.000000 110905.000000 96141.000000 112810.000000 153522.000000 76321.000000 63488.000000 73621.000000 101983.000000 104.000000 422.000000 327.000000 375.000000 39994183.000000 39994183.000000 39994183.000000 39994183.000000 1.018435 1.015462 1.020969 1.025204 + 5375.018938 24999477.000000 11293665.000000 47227.000000 373.000000 113116.000000 98258.000000 115079.000000 156332.000000 77740.000000 64670.000000 75221.000000 103803.000000 131.000000 458.000000 349.000000 410.000000 39994403.000000 39994403.000000 39994403.000000 39994403.000000 1.018815 1.015809 1.021402 1.025685 + 5377.515720 24999400.000000 11288339.000000 47084.000000 373.000000 113372.000000 98062.000000 114934.000000 156192.000000 78043.000000 65190.000000 75074.000000 103723.000000 114.000000 407.000000 310.000000 378.000000 39994279.000000 39994279.000000 39994279.000000 39994279.000000 1.018856 1.015779 1.021374 1.025664 + 5380.016816 24999796.000000 11261101.000000 46965.000000 374.000000 113284.000000 97524.000000 114346.000000 155763.000000 77730.000000 64192.000000 74691.000000 102752.000000 114.000000 404.000000 314.000000 395.000000 39994912.000000 39994912.000000 39994912.000000 39994912.000000 1.018836 1.015691 1.021263 1.025589 + 5382.518608 24999171.000000 11437185.000000 47050.000000 373.000000 115186.000000 99689.000000 116504.000000 158875.000000 79124.000000 65831.000000 76224.000000 105399.000000 111.000000 431.000000 309.000000 388.000000 39993912.000000 39993912.000000 39993912.000000 39993912.000000 1.019165 1.016044 1.021673 1.026114 + 5385.020186 24999652.000000 11458562.000000 47119.000000 374.000000 115477.000000 99768.000000 116889.000000 158684.000000 79291.000000 65593.000000 76527.000000 104851.000000 119.000000 414.000000 360.000000 388.000000 39994682.000000 39994682.000000 39994682.000000 39994682.000000 1.019209 1.016056 1.021745 1.026084 + 5387.520638 24999064.000000 11432933.000000 47057.000000 373.000000 114314.000000 99472.000000 116173.000000 158483.000000 78677.000000 65719.000000 76268.000000 104727.000000 100.000000 443.000000 305.000000 386.000000 39993742.000000 39993742.000000 39993742.000000 39993742.000000 1.019018 1.016006 1.021609 1.026041 + 5390.022683 24999345.000000 11544133.000000 47118.000000 373.000000 115573.000000 100495.000000 117404.000000 160076.000000 79409.000000 66585.000000 76867.000000 105673.000000 137.000000 416.000000 315.000000 412.000000 39994192.000000 39994192.000000 39994192.000000 39994192.000000 1.019236 1.016177 1.021844 1.026317 + 5392.523593 24999556.000000 11510771.000000 47113.000000 374.000000 115424.000000 100207.000000 117399.000000 159774.000000 79488.000000 65833.000000 76887.000000 105577.000000 136.000000 407.000000 314.000000 390.000000 39994529.000000 39994529.000000 39994529.000000 39994529.000000 1.019210 1.016131 1.021843 1.026269 + 5395.023359 24999369.000000 11523250.000000 47130.000000 373.000000 115977.000000 100769.000000 117109.000000 159751.000000 79750.000000 66529.000000 76822.000000 105735.000000 129.000000 426.000000 336.000000 420.000000 39994230.000000 39994230.000000 39994230.000000 39994230.000000 1.019298 1.016219 1.021790 1.026266 + 5397.523800 24999256.000000 11598767.000000 47162.000000 374.000000 116501.000000 101079.000000 117893.000000 160976.000000 79821.000000 66580.000000 77111.000000 106277.000000 111.000000 474.000000 368.000000 418.000000 39994049.000000 39994049.000000 39994049.000000 39994049.000000 1.019383 1.016268 1.021934 1.026462 + 5400.023086 24999460.000000 11600799.000000 47156.000000 373.000000 116341.000000 100712.000000 118318.000000 161412.000000 79543.000000 66529.000000 76983.000000 106401.000000 134.000000 454.000000 336.000000 393.000000 39994375.000000 39994375.000000 39994375.000000 39994375.000000 1.019367 1.016214 1.022018 1.026542 + 5402.523953 24999459.000000 11581359.000000 47155.000000 373.000000 116742.000000 101486.000000 117421.000000 160491.000000 79831.000000 66636.000000 76596.000000 106487.000000 96.000000 462.000000 368.000000 397.000000 39994373.000000 39994373.000000 39994373.000000 39994373.000000 1.019425 1.016335 1.021849 1.026391 + 5405.023657 24999406.000000 11618625.000000 47065.000000 373.000000 116720.000000 101403.000000 118600.000000 161760.000000 80063.000000 66834.000000 77703.000000 106968.000000 121.000000 465.000000 351.000000 418.000000 39994289.000000 39994289.000000 39994289.000000 39994289.000000 1.019430 1.016326 1.022072 1.026604 + 5407.520357 24999549.000000 11589064.000000 47032.000000 374.000000 116861.000000 101329.000000 117712.000000 160721.000000 80374.000000 66643.000000 77114.000000 106496.000000 109.000000 440.000000 340.000000 417.000000 39994518.000000 39994518.000000 39994518.000000 39994518.000000 1.019445 1.016310 1.021904 1.026425 + 5410.018627 24999220.000000 11564224.000000 47021.000000 373.000000 115755.000000 100892.000000 117755.000000 160326.000000 79426.000000 66395.000000 77117.000000 106303.000000 136.000000 449.000000 320.000000 406.000000 39993991.000000 39993991.000000 39993991.000000 39993991.000000 1.019258 1.016236 1.021907 1.026351 + 5412.521221 24999520.000000 11668051.000000 47022.000000 374.000000 117972.000000 101834.000000 118963.000000 162737.000000 80696.000000 67225.000000 77652.000000 107577.000000 139.000000 449.000000 341.000000 406.000000 39994471.000000 39994471.000000 39994471.000000 39994471.000000 1.019644 1.016401 1.022148 1.026778 + 5415.023553 24999316.000000 11526919.000000 47032.000000 373.000000 116834.000000 99845.000000 117171.000000 160681.000000 80064.000000 65929.000000 76564.000000 106529.000000 129.000000 420.000000 333.000000 438.000000 39994145.000000 39994145.000000 39994145.000000 39994145.000000 1.019439 1.016074 1.021804 1.026421 + 5417.522860 24999483.000000 11575168.000000 47045.000000 374.000000 116395.000000 101291.000000 117868.000000 160651.000000 79821.000000 66574.000000 76860.000000 105982.000000 135.000000 423.000000 346.000000 421.000000 39994413.000000 39994413.000000 39994413.000000 39994413.000000 1.019381 1.016309 1.021935 1.026427 + 5420.022812 24999316.000000 11635736.000000 47038.000000 373.000000 117092.000000 101224.000000 118561.000000 161376.000000 80356.000000 66656.000000 77359.000000 106910.000000 150.000000 441.000000 347.000000 460.000000 39994145.000000 39994145.000000 39994145.000000 39994145.000000 1.019484 1.016294 1.022063 1.026535 + 5422.522485 24999537.000000 11644505.000000 47071.000000 373.000000 117161.000000 101640.000000 118840.000000 161178.000000 80584.000000 66823.000000 77857.000000 106585.000000 163.000000 494.000000 380.000000 387.000000 39994498.000000 39994498.000000 39994498.000000 39994498.000000 1.019500 1.016364 1.022118 1.026513 + 5425.020952 24999334.000000 11670662.000000 47154.000000 374.000000 117307.000000 101370.000000 118673.000000 161297.000000 80611.000000 66424.000000 77758.000000 106408.000000 132.000000 466.000000 377.000000 415.000000 39994174.000000 39994174.000000 39994174.000000 39994174.000000 1.019521 1.016319 1.022084 1.026523 + 5427.521900 24999448.000000 11617683.000000 47200.000000 373.000000 117263.000000 101531.000000 118281.000000 161077.000000 80565.000000 66992.000000 77259.000000 106264.000000 171.000000 454.000000 371.000000 463.000000 39994356.000000 39994356.000000 39994356.000000 39994356.000000 1.019523 1.016349 1.022015 1.026498 + 5430.021634 24999297.000000 11592265.000000 47047.000000 373.000000 116790.000000 101233.000000 117780.000000 160856.000000 80266.000000 67007.000000 76953.000000 105767.000000 153.000000 455.000000 357.000000 457.000000 39994114.000000 39994114.000000 39994114.000000 39994114.000000 1.019437 1.016297 1.021919 1.026455 + 5432.521998 24999622.000000 11605750.000000 47081.000000 374.000000 116823.000000 101435.000000 118155.000000 160583.000000 80331.000000 66780.000000 77283.000000 106078.000000 156.000000 482.000000 355.000000 435.000000 39994634.000000 39994634.000000 39994634.000000 39994634.000000 1.019442 1.016329 1.021988 1.026412 + 5435.022063 24999285.000000 11506155.000000 47067.000000 373.000000 116475.000000 100354.000000 117371.000000 159799.000000 80004.000000 66045.000000 76626.000000 105500.000000 178.000000 423.000000 357.000000 469.000000 39994096.000000 39994096.000000 39994096.000000 39994096.000000 1.019374 1.016152 1.021837 1.026269 + 5437.521826 24999370.000000 11478335.000000 47095.000000 374.000000 115989.000000 100391.000000 116594.000000 158447.000000 79554.000000 66031.000000 75684.000000 104673.000000 194.000000 513.000000 375.000000 469.000000 39994232.000000 39994232.000000 39994232.000000 39994232.000000 1.019287 1.016154 1.021690 1.026046 + 5440.023137 24999423.000000 11490125.000000 47101.000000 373.000000 116402.000000 99807.000000 117535.000000 159509.000000 80071.000000 65545.000000 76645.000000 105147.000000 172.000000 508.000000 377.000000 477.000000 39994316.000000 39994316.000000 39994316.000000 39994316.000000 1.019365 1.016067 1.021869 1.026226 + 5442.521352 24999442.000000 11434092.000000 47047.000000 374.000000 115324.000000 99830.000000 116576.000000 159252.000000 78805.000000 65936.000000 75982.000000 105368.000000 226.000000 457.000000 417.000000 487.000000 39994347.000000 39994347.000000 39994347.000000 39994347.000000 1.019199 1.016074 1.021693 1.026194 + 5445.022038 24999405.000000 11339929.000000 47115.000000 373.000000 114137.000000 98949.000000 115250.000000 157466.000000 78332.000000 65117.000000 75413.000000 103697.000000 191.000000 489.000000 408.000000 464.000000 39994287.000000 39994287.000000 39994287.000000 39994287.000000 1.018985 1.015922 1.021436 1.025878 + 5447.524267 24999346.000000 11412367.000000 47090.000000 374.000000 114843.000000 99823.000000 115861.000000 158272.000000 78839.000000 65903.000000 75888.000000 104597.000000 216.000000 496.000000 433.000000 525.000000 39994193.000000 39994193.000000 39994193.000000 39994193.000000 1.019119 1.016071 1.021560 1.026030 + 5450.022451 24999399.000000 11441626.000000 47144.000000 374.000000 114376.000000 99621.000000 115915.000000 159087.000000 78075.000000 65399.000000 75523.000000 104860.000000 245.000000 529.000000 433.000000 529.000000 39994277.000000 39994277.000000 39994277.000000 39994277.000000 1.019034 1.016033 1.021565 1.026150 + 5452.374839 24999508.000000 11479261.000000 47082.000000 373.000000 115560.000000 99994.000000 116965.000000 158729.000000 79260.000000 65733.000000 76309.000000 104673.000000 270.000000 532.000000 423.000000 579.000000 39994453.000000 39994453.000000 39994453.000000 39994453.000000 1.019224 1.016093 1.021760 1.026092 + 5454.139630 24999430.000000 11457399.000000 47099.000000 374.000000 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39994395.000000 1.020992 1.017701 1.023409 1.028258 + 5710.110770 24999334.000000 9577983.000000 47015.000000 374.000000 124857.000000 108411.000000 124168.000000 169577.000000 64431.000000 53356.000000 60987.000000 84785.000000 20393.000000 17915.000000 20450.000000 25730.000000 39994174.000000 39994174.000000 39994174.000000 39994174.000000 1.020940 1.017545 1.023214 1.028094 + 5713.790638 24999417.000000 9682432.000000 46953.000000 374.000000 125639.000000 109453.000000 125622.000000 170917.000000 64868.000000 54038.000000 61442.000000 84941.000000 20786.000000 18118.000000 20627.000000 25744.000000 39994306.000000 39994306.000000 39994306.000000 39994306.000000 1.021075 1.017715 1.023490 1.028323 + 5717.496221 24999550.000000 9595628.000000 47007.000000 375.000000 124101.000000 108338.000000 124675.000000 168959.000000 63691.000000 53535.000000 61467.000000 84102.000000 20576.000000 18047.000000 20380.000000 25505.000000 39994519.000000 39994519.000000 39994519.000000 39994519.000000 1.020812 1.017530 1.023304 1.027989 + 5721.228651 24999244.000000 9318481.000000 46962.000000 374.000000 119768.000000 104959.000000 120269.000000 163743.000000 61971.000000 52078.000000 59259.000000 81463.000000 19684.000000 17359.000000 19869.000000 24768.000000 39994030.000000 39994030.000000 39994030.000000 39994030.000000 1.020077 1.016974 1.022466 1.027097 + 5724.992169 24999483.000000 9185953.000000 46930.000000 374.000000 117962.000000 102300.000000 118288.000000 161661.000000 60766.000000 50565.000000 58237.000000 80631.000000 19453.000000 17014.000000 19385.000000 24453.000000 39994412.000000 39994412.000000 39994412.000000 39994412.000000 1.019767 1.016542 1.022087 1.026740 + 5728.780674 24999262.000000 9458127.000000 46940.000000 374.000000 121102.000000 106397.000000 121302.000000 166755.000000 62730.000000 52377.000000 59750.000000 82951.000000 20007.000000 17582.000000 19742.000000 25338.000000 39994059.000000 39994059.000000 39994059.000000 39994059.000000 1.020313 1.017213 1.022668 1.027607 + 5732.595301 24999598.000000 9349001.000000 47027.000000 374.000000 119384.000000 104996.000000 119839.000000 163672.000000 61896.000000 52090.000000 59202.000000 81439.000000 19712.000000 17287.000000 19774.000000 24914.000000 39994597.000000 39994597.000000 39994597.000000 39994597.000000 1.020008 1.016978 1.022383 1.027081 diff --git a/conversion_examples/MultiElementFluor/V_XANES_ap2_new.001 b/conversion_examples/MultiElementFluor/V_XANES_ap2_new.001 new file mode 100644 index 0000000..a0b261d --- /dev/null +++ b/conversion_examples/MultiElementFluor/V_XANES_ap2_new.001 @@ -0,0 +1,460 @@ +# XDI/1.1 +# Column.1: energy eV +# Column.2: norm +# Column.3: ifluor +# Column.4: i0 +# Column.5: tscaler +# Column.6: i1 +# Column.7: i2 +# Column.8: outputcounts_mca1 +# Column.9: outputcounts_mca2 +# Column.10: outputcounts_mca3 +# Column.11: outputcounts_mca4 +# Column.12: ca_ka_mca1 +# Column.13: ca_ka_mca2 +# Column.14: ca_ka_mca3 +# Column.15: ca_ka_mca4 +# Column.16: v_ka_mca1 +# Column.17: v_ka_mca2 +# Column.18: v_ka_mca3 +# Column.19: v_ka_mca4 +# Column.20: clock_mca1 +# Column.21: clock_mca2 +# Column.22: clock_mca3 +# Column.23: clock_mca4 +# Column.24: dtfactor_mca1 +# Column.25: dtfactor_mca2 +# Column.26: dtfactor_mca3 +# Column.27: dtfactor_mca4 +# Legend.End: here +# Scan.end_time: 2018-11-27 07:07:48 +# ExtraPVs.Start: Family.Member: Value | PV +# Beamline.FOE_Slit_HPos: 0.0250 || 13IDA:m5.VAL +# Beamline.FOE_Slit_HWid: 0.8000 || 13IDA:m6.VAL +# Beamline.FOE_Slit_VPos: -0.1250 || 13IDA:m7.VAL +# Beamline.FOE_Slit_VWid: 0.2500 || 13IDA:m8.VAL +# Beamline.FluxEstimate: 1.373e+12 || 13XRM:ION:FluxOut.VAL +# Beamline.I0_Sensitivity_Number: 100 || 13IDE:A1sens_num.VAL +# Beamline.I0_Sensitivity_Unit: nA/V || 13IDE:A1sens_unit.VAL +# Beamline.I1_Sensitivity_Number: 200 || 13IDE:A2sens_num.VAL +# Beamline.I1_Sensitivity_Unit: nA/V || 13IDE:A2sens_unit.VAL +# Beamline.I2_Sensitivity_Number: 20 || 13IDE:A3sens_num.VAL +# Beamline.I2_Sensitivity_Unit: nA/V || 13IDE:A3sens_unit.VAL +# Beamline.SSA_Slit_HPos: 0 || 13IDA:m69.VAL +# Beamline.SSA_Slit_HWid: 0.0500 || 13IDA:m70.VAL +# Beamline.SSA_Slit_VPos: 0.7500 || 13IDA:m71.VAL +# Beamline.SSA_Slit_VWid: 0.3000 || 13IDA:m72.VAL +# DetectorStage.X: 15380.0 || 13IDE:m34.VAL +# DetectorStage.Y: 291.740 || 13IDE:m4.VAL +# DetectorStage.Z: 125.0000 || 13IDE:m19.VAL +# Facility.Ring_Current: 87.1 || S:SRcurrentAI.VAL +# Facility.Ring_Lifetime: 72.1 || S:SRlifeTimeHrsCC.VAL +# Monochromator.d_spacing: 3.13477 || 13IDE:En:dspace.VAL +# Monochromator.height: 24.90000 || 13IDE:En:height.VAL +# Monochromator.theta_offset: 17.54913 || 13IDA:m65.OFF +# Monochromator.xtal2_pitch: -0.1160 || 13IDA:m67.VAL +# Monochromator.xtal2_rol: 1.0400 || 13IDA:m68.VAL +# Monochromator.xtal2_y: 13.3075 || 13IDA:m66.VAL +# Monochromator.xtal2_y_off: 11.6000 || 13IDA:m66.OFF +# SampleStage.CoarseX: 130.7285 || 13XRM:m4.VAL +# SampleStage.CoarseY: 89.3002 || 13XRM:m5.VAL +# SampleStage.CoarseZ: 211.0609 || 13XRM:m6.VAL +# SampleStage.FineX: 0.18003 || 13XRM:m1.VAL +# SampleStage.FineY: 0.37600 || 13XRM:m2.VAL +# SampleStage.Theta: 0 || 13XRM:m3.VAL +# Undulator.Energy: 5.803 || ID13us:Energy.VAL +# Monochromator.Energy: 5599.50000 || 13IDE:En:Energy.VAL +# ExtraPVs.End: here +# ScanParameters.Start: Scan.Member: Value +# ScanParameters.ScanType: xafs +# ScanParameters.element: V +# ScanParameters.edge: K +# ScanParameters.E0: 5465.000 +# ScanParameters.Legend: Start, Stop, Step, K-space, Time +# ScanParameters.Region1: -100.000, -10.000, 2.500 False 0.50 +# ScanParameters.Region2: -10.000, 25.008, 0.150 False 0.50 +# ScanParameters.Region3: 2.562, 8.500, 0.060 True 0.50 +# ScanParameters.End: here +# Process.program: xraylarch +# Process.version: 0.9.80 +# Process.command: pre_edge(data, nvict=0, pre1=-150, pre2=-50, norm1=150, norm2=750, make_flat=True) +# Process.step1: using col1..col27 for 27 from arrays in rawdata +# Process.step2: energy = col1 # column 1: energy (eV) +# Process.step3: i0 = col4 # column 4: incident beam intensity +# Process.step4: # fluorescence: sum 4 channels, with deadtime corection from columns in the data +# Process.step5: ifluor = col16*col24+col17*col25+col18*col26+col19*col27 +# Process.step6: mu = iflour/i0 +# Process.step7: edge_step = 0.010006361 +# Process.step8: pre_edge = -9.385694e-4 + 1.953125e-7*energy +# Process.step9: intensity = norm = (mu - pre_edge) /edge_step +# /// Users Comments /// +# +#--------------------------------- +# energy norm ifluor i0 tscaler i1 i2 outputcounts_mca1 outputcounts_mca2 outputcounts_mca3 outputcounts_mca4 ca_ka_mca1 ca_ka_mca2 ca_ka_mca3 ca_ka_mca4 v_ka_mca1 v_ka_mca2 v_ka_mca3 v_ka_mca4 clock_mca1 clock_mca2 clock_mca3 clock_mca4 dtfactor_mca1 dtfactor_mca2 dtfactor_mca3 dtfactor_mca4 + 5365.01803700 -0.00009252406 1227.06343800 11323984.0000 24999964.0000 47401.0000000 373.000000000 114398.000000 98601.0000000 115479.000000 158079.000000 78737.0000000 65305.0000000 75674.0000000 104562.000000 113.000000000 399.000000000 299.000000000 391.000000000 39995182.0000 39995182.0000 39995182.0000 39995182.0000 1.01903200000 1.01586900000 1.02148000000 1.02598100000 + 5367.51382100 0.00004505236 1233.35340500 11189539.0000 24999334.0000 47284.0000000 374.000000000 112038.000000 97333.0000000 113495.000000 154609.000000 76987.0000000 64224.0000000 74517.0000000 102384.000000 100.000000000 448.000000000 305.000000000 356.000000000 39994174.0000 39994174.0000 39994174.0000 39994174.0000 1.01863000000 1.01565700000 1.02110100000 1.02539400000 + 5370.01662400 -0.00037806897 1179.23579400 11074850.0000 24999069.0000 47340.0000000 373.000000000 110664.000000 96264.0000000 112052.000000 153418.000000 76102.0000000 64015.0000000 73143.0000000 101600.000000 109.000000000 403.000000000 283.000000000 361.000000000 39993750.0000 39993750.0000 39993750.0000 39993750.0000 1.01840200000 1.01548400000 1.02083000000 1.02519400000 + 5372.51923500 0.00024199131 1252.75056700 11069434.0000 24999340.0000 47304.0000000 374.000000000 110905.000000 96141.0000000 112810.000000 153522.000000 76321.0000000 63488.0000000 73621.0000000 101983.000000 104.000000000 422.000000000 327.000000000 375.000000000 39994183.0000 39994183.0000 39994183.0000 39994183.0000 1.01843500000 1.01546200000 1.02096900000 1.02520400000 + 5375.01893800 0.00105665895 1375.70543500 11293665.0000 24999477.0000 47227.0000000 373.000000000 113116.000000 98258.0000000 115079.000000 156332.000000 77740.0000000 64670.0000000 75221.0000000 103803.000000 131.000000000 458.000000000 349.000000000 410.000000000 39994403.0000 39994403.0000 39994403.0000 39994403.0000 1.01881500000 1.01580900000 1.02140200000 1.02568500000 + 5377.51572000 -0.00024175753 1233.89856900 11288339.0000 24999400.0000 47084.0000000 373.000000000 113372.000000 98062.0000000 114934.000000 156192.000000 78043.0000000 65190.0000000 75074.0000000 103723.000000 114.000000000 407.000000000 310.000000000 378.000000000 39994279.0000 39994279.0000 39994279.0000 39994279.0000 1.01885600000 1.01577900000 1.02137400000 1.02566400000 + 5380.01681600 -0.00010111070 1252.27070500 11261101.0000 24999796.0000 46965.0000000 374.000000000 113284.000000 97524.0000000 114346.000000 155763.000000 77730.0000000 64192.0000000 74691.0000000 102752.000000 114.000000000 404.000000000 314.000000000 395.000000000 39994912.0000 39994912.0000 39994912.0000 39994912.0000 1.01883600000 1.01569100000 1.02126300000 1.02558900000 + 5382.51860800 -0.00021093598 1264.87146800 11437185.0000 24999171.0000 47050.0000000 373.000000000 115186.000000 99689.0000000 116504.000000 158875.000000 79124.0000000 65831.0000000 76224.0000000 105399.000000 111.000000000 431.000000000 309.000000000 388.000000000 39993912.0000 39993912.0000 39993912.0000 39993912.0000 1.01916500000 1.01604400000 1.02167300000 1.02611400000 + 5385.02018600 0.00009473435 1307.88184700 11458562.0000 24999652.0000 47119.0000000 374.000000000 115477.000000 99768.0000000 116889.000000 158684.000000 79291.0000000 65593.0000000 76527.0000000 104851.000000 119.000000000 414.000000000 360.000000000 388.000000000 39994682.0000 39994682.0000 39994682.0000 39994682.0000 1.01920900000 1.01605600000 1.02174500000 1.02608400000 + 5387.52063800 -0.00035023158 1259.63502900 11432933.0000 24999064.0000 47057.0000000 373.000000000 114314.000000 99472.0000000 116173.000000 158483.000000 78677.0000000 65719.0000000 76268.0000000 104727.000000 100.000000000 443.000000000 305.000000000 386.000000000 39993742.0000 39993742.0000 39993742.0000 39993742.0000 1.01901800000 1.01600600000 1.02160900000 1.02604100000 + 5390.02268300 -0.00009432980 1307.08842800 11544133.0000 24999345.0000 47118.0000000 373.000000000 115573.000000 100495.000000 117404.000000 160076.000000 79409.0000000 66585.0000000 76867.0000000 105673.000000 137.000000000 416.000000000 315.000000000 412.000000000 39994192.0000 39994192.0000 39994192.0000 39994192.0000 1.01923600000 1.01617700000 1.02184400000 1.02631700000 + 5392.52359300 -0.00040386068 1273.28148900 11510771.0000 24999556.0000 47113.0000000 374.000000000 115424.000000 100207.000000 117399.000000 159774.000000 79488.0000000 65833.0000000 76887.0000000 105577.000000 136.000000000 407.000000000 314.000000000 390.000000000 39994529.0000 39994529.0000 39994529.0000 39994529.0000 1.01921000000 1.01613100000 1.02184300000 1.02626900000 + 5395.02335900 0.00010317336 1338.75189600 11523250.0000 24999369.0000 47130.0000000 373.000000000 115977.000000 100769.000000 117109.000000 159751.000000 79750.0000000 66529.0000000 76822.0000000 105735.000000 129.000000000 426.000000000 336.000000000 420.000000000 39994230.0000 39994230.0000 39994230.0000 39994230.0000 1.01929800000 1.01621900000 1.02179000000 1.02626600000 + 5397.52380000 0.00050645612 1399.99537300 11598767.0000 24999256.0000 47162.0000000 374.000000000 116501.000000 101079.000000 117893.000000 160976.000000 79821.0000000 66580.0000000 77111.0000000 106277.000000 111.000000000 474.000000000 368.000000000 418.000000000 39994049.0000 39994049.0000 39994049.0000 39994049.0000 1.01938300000 1.01626800000 1.02193400000 1.02646200000 + 5400.02308600 -0.00002005274 1344.78538800 11600799.0000 24999460.0000 47156.0000000 373.000000000 116341.000000 100712.000000 118318.000000 161412.000000 79543.0000000 66529.0000000 76983.0000000 106401.000000 134.000000000 454.000000000 336.000000000 393.000000000 39994375.0000 39994375.0000 39994375.0000 39994375.0000 1.01936700000 1.01621400000 1.02201800000 1.02654200000 + 5402.52395300 3.59472431e-6 1350.92922900 11581359.0000 24999459.0000 47155.0000000 373.000000000 116742.000000 101486.000000 117421.000000 160491.000000 79831.0000000 66636.0000000 76596.0000000 106487.000000 96.0000000000 462.000000000 368.000000000 397.000000000 39994373.0000 39994373.0000 39994373.0000 39994373.0000 1.01942500000 1.01633500000 1.02184900000 1.02639100000 + 5405.02365700 0.00020023724 1383.81036400 11618625.0000 24999406.0000 47065.0000000 373.000000000 116720.000000 101403.000000 118600.000000 161760.000000 80063.0000000 66834.0000000 77703.0000000 106968.000000 121.000000000 465.000000000 351.000000000 418.000000000 39994289.0000 39994289.0000 39994289.0000 39994289.0000 1.01943000000 1.01632600000 1.02207200000 1.02660400000 + 5407.52035700 -0.00024971421 1333.76249000 11589064.0000 24999549.0000 47032.0000000 374.000000000 116861.000000 101329.000000 117712.000000 160721.000000 80374.0000000 66643.0000000 77114.0000000 106496.000000 109.000000000 440.000000000 340.000000000 417.000000000 39994518.0000 39994518.0000 39994518.0000 39994518.0000 1.01944500000 1.01631000000 1.02190400000 1.02642500000 + 5410.01862700 -0.00023181337 1338.61779800 11564224.0000 24999220.0000 47021.0000000 373.000000000 115755.000000 100892.000000 117755.000000 160326.000000 79426.0000000 66395.0000000 77117.0000000 106303.000000 136.000000000 449.000000000 320.000000000 406.000000000 39993991.0000 39993991.0000 39993991.0000 39993991.0000 1.01925800000 1.01623600000 1.02190700000 1.02635100000 + 5412.52122100 -0.00017032209 1363.51890100 11668051.0000 24999520.0000 47022.0000000 374.000000000 117972.000000 101834.000000 118963.000000 162737.000000 80696.0000000 67225.0000000 77652.0000000 107577.000000 139.000000000 449.000000000 341.000000000 406.000000000 39994471.0000 39994471.0000 39994471.0000 39994471.0000 1.01964400000 1.01640100000 1.02214800000 1.02677800000 + 5415.02355300 -0.00020992689 1348.09184100 11526919.0000 24999316.0000 47032.0000000 373.000000000 116834.000000 99845.0000000 117171.000000 160681.000000 80064.0000000 65929.0000000 76564.0000000 106529.000000 129.000000000 420.000000000 333.000000000 438.000000000 39994145.0000 39994145.0000 39994145.0000 39994145.0000 1.01943900000 1.01607400000 1.02180400000 1.02642100000 + 5417.52286000 -0.00026306373 1353.23041900 11575168.0000 24999483.0000 47045.0000000 374.000000000 116395.000000 101291.000000 117868.000000 160651.000000 79821.0000000 66574.0000000 76860.0000000 105982.000000 135.000000000 423.000000000 346.000000000 421.000000000 39994413.0000 39994413.0000 39994413.0000 39994413.0000 1.01938100000 1.01630900000 1.02193500000 1.02642700000 + 5420.02281200 0.00026924562 1427.97021500 11635736.0000 24999316.0000 47038.0000000 373.000000000 117092.000000 101224.000000 118561.000000 161376.000000 80356.0000000 66656.0000000 77359.0000000 106910.000000 150.000000000 441.000000000 347.000000000 460.000000000 39994145.0000 39994145.0000 39994145.0000 39994145.0000 1.01948400000 1.01629400000 1.02206300000 1.02653500000 + 5422.52248500 0.00043399341 1453.92768700 11644505.0000 24999537.0000 47071.0000000 373.000000000 117161.000000 101640.000000 118840.000000 161178.000000 80584.0000000 66823.0000000 77857.0000000 106585.000000 163.000000000 494.000000000 380.000000000 387.000000000 39994498.0000 39994498.0000 39994498.0000 39994498.0000 1.01950000000 1.01636400000 1.02211800000 1.02651300000 + 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1.02862900000 + 5702.83293600 0.88366382166 87998.2103670 9758578.00000 24999489.0000 47020.0000000 374.000000000 126698.000000 110569.000000 127059.000000 173018.000000 65404.0000000 54635.0000000 62554.0000000 85952.0000000 20944.0000000 18036.0000000 20911.0000000 26094.0000000 39994422.0000 39994422.0000 39994422.0000 39994422.0000 1.02125900000 1.01789800000 1.02376300000 1.02867500000 + 5706.45755100 0.87949465151 86661.3808910 9654236.00000 24999472.0000 46996.0000000 374.000000000 125167.000000 109389.000000 125202.000000 170566.000000 64514.0000000 54396.0000000 61748.0000000 85052.0000000 20536.0000000 17772.0000000 20489.0000000 25907.0000000 39994395.0000 39994395.0000 39994395.0000 39994395.0000 1.02099200000 1.01770100000 1.02340900000 1.02825800000 + 5710.11077000 0.88411903237 86426.9330150 9577983.00000 24999334.0000 47015.0000000 374.000000000 124857.000000 108411.000000 124168.000000 169577.000000 64431.0000000 53356.0000000 60987.0000000 84785.0000000 20393.0000000 17915.0000000 20450.0000000 25730.0000000 39994174.0000 39994174.0000 39994174.0000 39994174.0000 1.02094000000 1.01754500000 1.02321400000 1.02809400000 + 5713.79063800 0.88279080267 87247.7008620 9682432.00000 24999417.0000 46953.0000000 374.000000000 125639.000000 109453.000000 125622.000000 170917.000000 64868.0000000 54038.0000000 61442.0000000 84941.0000000 20786.0000000 18118.0000000 20627.0000000 25744.0000000 39994306.0000 39994306.0000 39994306.0000 39994306.0000 1.02107500000 1.01771500000 1.02349000000 1.02832300000 + 5717.49622100 0.88246716881 86441.3865870 9595628.00000 24999550.0000 47007.0000000 375.000000000 124101.000000 108338.000000 124675.000000 168959.000000 63691.0000000 53535.0000000 61467.0000000 84102.0000000 20576.0000000 18047.0000000 20380.0000000 25505.0000000 39994519.0000 39994519.0000 39994519.0000 39994519.0000 1.02081200000 1.01753000000 1.02330400000 1.02798900000 + 5721.22865100 0.87748924371 83487.3627840 9318481.00000 24999244.0000 46962.0000000 374.000000000 119768.000000 104959.000000 120269.000000 163743.000000 61971.0000000 52078.0000000 59259.0000000 81463.0000000 19684.0000000 17359.0000000 19869.0000000 24768.0000000 39994030.0000 39994030.0000 39994030.0000 39994030.0000 1.02007700000 1.01697400000 1.02246600000 1.02709700000 + 5724.99216900 0.87472863024 82053.0027540 9185953.00000 24999483.0000 46930.0000000 374.000000000 117962.000000 102300.000000 118288.000000 161661.000000 60766.0000000 50565.0000000 58237.0000000 80631.0000000 19453.0000000 17014.0000000 19385.0000000 24453.0000000 39994412.0000 39994412.0000 39994412.0000 39994412.0000 1.01976700000 1.01654200000 1.02208700000 1.02674000000 + 5728.78067400 0.87508660223 84525.0589790 9458127.00000 24999262.0000 46940.0000000 374.000000000 121102.000000 106397.000000 121302.000000 166755.000000 62730.0000000 52377.0000000 59750.0000000 82951.0000000 20007.0000000 17582.0000000 19742.0000000 25338.0000000 39994059.0000 39994059.0000 39994059.0000 39994059.0000 1.02031300000 1.01721300000 1.02266800000 1.02760700000 + 5732.59530100 0.87439608938 83492.1938580 9349001.00000 24999598.0000 47027.0000000 374.000000000 119384.000000 104996.000000 119839.000000 163672.000000 61896.0000000 52090.0000000 59202.0000000 81439.0000000 19712.0000000 17287.0000000 19774.0000000 24914.0000000 39994597.0000 39994597.0000 39994597.0000 39994597.0000 1.02000800000 1.01697800000 1.02238300000 1.02708100000 diff --git a/conversion_examples/MultiElementFluor/V_XANES_ap3.001 b/conversion_examples/MultiElementFluor/V_XANES_ap3.001 new file mode 100755 index 0000000..b0aa154 --- /dev/null +++ b/conversion_examples/MultiElementFluor/V_XANES_ap3.001 @@ -0,0 +1,448 @@ +#XDI/1.1 Epics StepScan File / 2.0 +# Scan.start_time: 2018-11-27 07:08:03 +# Legend.Start: Column.N: Name units || EpicsPV +# Column.1: Energy eV || 13IDE:En:Energy.VAL +# Column.2: TSCALER counts || 13IDE:SIS1:mca1 +# Column.3: I0 counts || 13IDE:SIS1:mca2 +# Column.4: I1 counts || 13IDE:SIS1:mca3 +# Column.5: I2 counts || 13IDE:SIS1:mca4 +# Column.6: OutputCounts_mca1 counts || 13QX4:MCA1ROI:1:TSTotal +# Column.7: OutputCounts_mca2 counts || 13QX4:MCA2ROI:1:TSTotal +# Column.8: OutputCounts_mca3 counts || 13QX4:MCA3ROI:1:TSTotal +# Column.9: OutputCounts_mca4 counts || 13QX4:MCA4ROI:1:TSTotal +# Column.10: Ca_Ka_mca1 counts || 13QX4:MCA1ROI:7:TSTotal +# Column.11: Ca_Ka_mca2 counts || 13QX4:MCA2ROI:7:TSTotal +# Column.12: Ca_Ka_mca3 counts || 13QX4:MCA3ROI:7:TSTotal +# Column.13: Ca_Ka_mca4 counts || 13QX4:MCA4ROI:7:TSTotal +# Column.14: V_Ka_mca1 counts || 13QX4:MCA1ROI:10:TSTotal +# Column.15: V_Ka_mca2 counts || 13QX4:MCA2ROI:10:TSTotal +# Column.16: V_Ka_mca3 counts || 13QX4:MCA3ROI:10:TSTotal +# Column.17: V_Ka_mca4 counts || 13QX4:MCA4ROI:10:TSTotal +# Column.18: Clock_mca1 counts || 13QX4:C1SCA0:TSArrayValue +# Column.19: Clock_mca2 counts || 13QX4:C2SCA0:TSArrayValue +# Column.20: Clock_mca3 counts || 13QX4:C3SCA0:TSArrayValue +# Column.21: Clock_mca4 counts || 13QX4:C4SCA0:TSArrayValue +# Column.22: DTFactor_mca1 counts || 13QX4:C1SCA8:TSArrayValue +# Column.23: DTFactor_mca2 counts || 13QX4:C2SCA8:TSArrayValue +# Column.24: DTFactor_mca3 counts || 13QX4:C3SCA8:TSArrayValue +# Column.25: DTFactor_mca4 counts || 13QX4:C4SCA8:TSArrayValue +# Legend.End: here +# Scan.end_time: 2018-11-27 07:11:09 +# ExtraPVs.Start: Family.Member: Value | PV +# Beamline.FOE_Slit_HPos: 0.0250 || 13IDA:m5.VAL +# Beamline.FOE_Slit_HWid: 0.8000 || 13IDA:m6.VAL +# Beamline.FOE_Slit_VPos: -0.1250 || 13IDA:m7.VAL +# Beamline.FOE_Slit_VWid: 0.2500 || 13IDA:m8.VAL +# Beamline.FluxEstimate: 2.201e+12 || 13XRM:ION:FluxOut.VAL +# Beamline.I0_Sensitivity_Number: 100 || 13IDE:A1sens_num.VAL +# Beamline.I0_Sensitivity_Unit: nA/V || 13IDE:A1sens_unit.VAL +# Beamline.I1_Sensitivity_Number: 200 || 13IDE:A2sens_num.VAL +# Beamline.I1_Sensitivity_Unit: nA/V || 13IDE:A2sens_unit.VAL +# Beamline.I2_Sensitivity_Number: 20 || 13IDE:A3sens_num.VAL +# Beamline.I2_Sensitivity_Unit: nA/V || 13IDE:A3sens_unit.VAL +# Beamline.SSA_Slit_HPos: 0 || 13IDA:m69.VAL +# Beamline.SSA_Slit_HWid: 0.0500 || 13IDA:m70.VAL +# Beamline.SSA_Slit_VPos: 0.7500 || 13IDA:m71.VAL +# Beamline.SSA_Slit_VWid: 0.3000 || 13IDA:m72.VAL +# DetectorStage.X: 15380.0 || 13IDE:m34.VAL +# DetectorStage.Y: 291.740 || 13IDE:m4.VAL +# DetectorStage.Z: 125.0000 || 13IDE:m19.VAL +# Facility.Ring_Current: 87.0 || S:SRcurrentAI.VAL +# Facility.Ring_Lifetime: 74.4 || S:SRlifeTimeHrsCC.VAL +# Mono.dspacing: 3.13477 || 13IDE:En:dspace.VAL +# Mono.height: 24.90000 || 13IDE:En:height.VAL +# Mono.theta_offset: 17.54913 || 13IDA:m65.OFF +# Mono.xtal2_pitch: -0.1160 || 13IDA:m67.VAL +# Mono.xtal2_rol: 1.0400 || 13IDA:m68.VAL +# Mono.xtal2_y: 13.3075 || 13IDA:m66.VAL +# Mono.xtal2_y_off: 11.6000 || 13IDA:m66.OFF +# SampleStage.CoarseX: 130.7285 || 13XRM:m4.VAL +# SampleStage.CoarseY: 89.3002 || 13XRM:m5.VAL +# SampleStage.CoarseZ: 211.0609 || 13XRM:m6.VAL +# SampleStage.FineX: 0.18404 || 13XRM:m1.VAL +# SampleStage.FineY: 0.32800 || 13XRM:m2.VAL +# SampleStage.Theta: 0 || 13XRM:m3.VAL +# Undulator.Energy: 5.798 || ID13us:Energy.VAL +# Mono.Energy: 5600.00000 || 13IDE:En:Energy.VAL +# ExtraPVs.End: here +# ScanParameters.Start: Scan.Member: Value +# ScanParameters.ScanType: xafs +# ScanParameters.element: V +# ScanParameters.edge: K +# ScanParameters.E0: 5465.000 +# ScanParameters.Legend: Start, Stop, Step, K-space, Time +# ScanParameters.Region1: -100.000, -10.000, 2.500 False 0.50 +# ScanParameters.Region2: -10.000, 25.008, 0.150 False 0.50 +# ScanParameters.Region3: 2.562, 8.500, 0.060 True 0.50 +# ScanParameters.End: here +# /// Users Comments /// +# +# ------------------------ +# Energy TSCALER I0 I1 I2 OutputCounts_mca1 OutputCounts_mca2 OutputCounts_mca3 OutputCounts_mca4 Ca_Ka_mca1 Ca_Ka_mca2 Ca_Ka_mca3 Ca_Ka_mca4 V_Ka_mca1 V_Ka_mca2 V_Ka_mca3 V_Ka_mca4 Clock_mca1 Clock_mca2 Clock_mca3 Clock_mca4 DTFactor_mca1 DTFactor_mca2 DTFactor_mca3 DTFactor_mca4 + 5365.016235 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47000.000000 374.000000 103521.000000 90966.000000 106297.000000 144669.000000 71568.000000 60076.000000 70047.000000 96347.000000 107.000000 376.000000 271.000000 325.000000 39994355.000000 39994355.000000 39994355.000000 39994355.000000 1.017473 1.014622 1.019738 1.023727 + 5375.018034 24999448.000000 10417042.000000 46980.000000 374.000000 105202.000000 90451.000000 105664.000000 143764.000000 72439.000000 60140.000000 69440.000000 95783.000000 110.000000 372.000000 277.000000 344.000000 39994357.000000 39994357.000000 39994357.000000 39994357.000000 1.017223 1.014536 1.019617 1.023572 + 5377.520245 24999556.000000 10411439.000000 47000.000000 374.000000 103687.000000 90299.000000 105617.000000 143972.000000 71469.000000 59940.000000 69417.000000 96042.000000 85.000000 368.000000 266.000000 348.000000 39994529.000000 39994529.000000 39994529.000000 39994529.000000 1.017357 1.014514 1.019611 1.023612 + 5380.020440 24999189.000000 10508494.000000 46912.000000 374.000000 104497.000000 91475.000000 106555.000000 144899.000000 71983.000000 60829.000000 70166.000000 96461.000000 122.000000 360.000000 279.000000 370.000000 39993942.000000 39993942.000000 39993942.000000 39993942.000000 1.017570 1.014700 1.019786 1.023764 + 5382.519515 24999370.000000 10443308.000000 46985.000000 374.000000 105825.000000 90069.000000 105811.000000 143169.000000 73310.000000 59818.000000 69834.000000 95149.000000 106.000000 389.000000 276.000000 363.000000 39994231.000000 39994231.000000 39994231.000000 39994231.000000 1.017328 1.014475 1.019645 1.023478 + 5385.020186 24999520.000000 10480137.000000 46938.000000 374.000000 104358.000000 91265.000000 107014.000000 144432.000000 71963.000000 60422.000000 70678.000000 96053.000000 92.000000 391.000000 261.000000 329.000000 39994471.000000 39994471.000000 39994471.000000 39994471.000000 1.017421 1.014666 1.019869 1.023682 + 5387.520638 24999394.000000 10584377.000000 46993.000000 374.000000 104905.000000 91736.000000 107288.000000 146130.000000 72536.000000 60801.000000 70521.000000 97336.000000 97.000000 381.000000 308.000000 340.000000 39994270.000000 39994270.000000 39994270.000000 39994270.000000 1.017622 1.014752 1.019931 1.023982 + 5390.019045 24999345.000000 10558166.000000 46704.000000 375.000000 106005.000000 91808.000000 107658.000000 145794.000000 72721.000000 60914.000000 70728.000000 97101.000000 108.000000 326.000000 280.000000 364.000000 39994191.000000 39994191.000000 39994191.000000 39994191.000000 1.017633 1.014756 1.019994 1.023916 + 5392.519951 24999418.000000 10578180.000000 46741.000000 374.000000 106164.000000 92115.000000 107772.000000 146148.000000 72911.000000 60930.000000 70674.000000 97237.000000 109.000000 371.000000 284.000000 348.000000 39994308.000000 39994308.000000 39994308.000000 39994308.000000 1.017615 1.014805 1.020016 1.023973 + 5395.021536 24999448.000000 10641120.000000 46825.000000 375.000000 106046.000000 92523.000000 108090.000000 146782.000000 73074.000000 61088.000000 71168.000000 97346.000000 102.000000 390.000000 287.000000 359.000000 39994356.000000 39994356.000000 39994356.000000 39994356.000000 1.017725 1.014873 1.020077 1.024080 + 5397.521063 24999382.000000 10483468.000000 47042.000000 374.000000 106687.000000 91723.000000 106208.000000 144825.000000 73245.000000 60789.000000 69389.000000 96060.000000 108.000000 381.000000 303.000000 358.000000 39994250.000000 39994250.000000 39994250.000000 39994250.000000 1.017569 1.014742 1.019724 1.023757 + 5400.022173 24999387.000000 10424826.000000 47028.000000 374.000000 105787.000000 90543.000000 106417.000000 144220.000000 72698.000000 59849.000000 70128.000000 95375.000000 95.000000 374.000000 269.000000 350.000000 39994259.000000 39994259.000000 39994259.000000 39994259.000000 1.017511 1.014559 1.019766 1.023669 + 5402.523953 24999580.000000 10442298.000000 47048.000000 373.000000 105390.000000 90978.000000 105698.000000 144152.000000 72806.000000 60199.000000 69547.000000 95835.000000 107.000000 379.000000 291.000000 326.000000 39994567.000000 39994567.000000 39994567.000000 39994567.000000 1.017430 1.014622 1.019625 1.023643 + 5405.022741 24999400.000000 10498980.000000 47097.000000 374.000000 104944.000000 91293.000000 106581.000000 145426.000000 72317.000000 60626.000000 69669.000000 96545.000000 95.000000 387.000000 289.000000 387.000000 39994279.000000 39994279.000000 39994279.000000 39994279.000000 1.017485 1.014672 1.019791 1.023848 + 5407.521273 24999333.000000 10375129.000000 47067.000000 374.000000 105269.000000 89876.000000 105946.000000 142951.000000 72533.000000 59567.000000 69679.000000 94692.000000 105.000000 357.000000 281.000000 341.000000 39994173.000000 39994173.000000 39994173.000000 39994173.000000 1.017266 1.014442 1.019667 1.023437 + 5410.021378 24999304.000000 10398577.000000 46932.000000 374.000000 103982.000000 90270.000000 105758.000000 143558.000000 71634.000000 59934.000000 69824.000000 95870.000000 116.000000 368.000000 256.000000 360.000000 39994126.000000 39994126.000000 39994126.000000 39994126.000000 1.017454 1.014509 1.019638 1.023547 + 5412.521221 24999382.000000 10490445.000000 46919.000000 373.000000 105115.000000 91549.000000 105998.000000 144732.000000 72473.000000 60563.000000 69685.000000 96237.000000 106.000000 355.000000 307.000000 358.000000 39994251.000000 39994251.000000 39994251.000000 39994251.000000 1.017547 1.014716 1.019687 1.023748 + 5415.022634 24999514.000000 10432678.000000 47011.000000 374.000000 105619.000000 90886.000000 106378.000000 144313.000000 72709.000000 59989.000000 69855.000000 95957.000000 129.000000 391.000000 283.000000 355.000000 39994462.000000 39994462.000000 39994462.000000 39994462.000000 1.017442 1.014611 1.019756 1.023676 + 5417.521021 24999387.000000 10499086.000000 47126.000000 374.000000 104981.000000 91583.000000 106662.000000 145122.000000 72331.000000 60552.000000 69955.000000 96657.000000 105.000000 386.000000 316.000000 379.000000 39994258.000000 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39994635.000000 1.018240 1.015260 1.020381 1.024629 + 5664.772846 24999483.000000 8289628.000000 47179.000000 374.000000 109031.000000 94967.000000 109187.000000 148329.000000 56473.000000 47134.000000 53977.000000 74605.000000 18139.000000 15947.000000 18203.000000 23154.000000 39994412.000000 39994412.000000 39994412.000000 39994412.000000 1.018198 1.015339 1.020357 1.024493 + 5668.095616 24998998.000000 8288134.000000 47182.000000 374.000000 108738.000000 94215.000000 108938.000000 148652.000000 56568.000000 46996.000000 54219.000000 74704.000000 18109.000000 15863.000000 18182.000000 22781.000000 39993636.000000 39993636.000000 39993636.000000 39993636.000000 1.018178 1.015214 1.020306 1.024534 + 5671.446909 24999610.000000 8152702.000000 47165.000000 375.000000 108671.000000 92875.000000 107013.000000 145486.000000 56751.000000 46147.000000 53095.000000 73218.000000 18008.000000 15582.000000 17855.000000 22427.000000 39994615.000000 39994615.000000 39994615.000000 39994615.000000 1.017787 1.014993 1.019939 1.024000 + 5674.823775 24999298.000000 7900610.000000 47080.000000 374.000000 106355.000000 89916.000000 103063.000000 140558.000000 55028.000000 44599.000000 51103.000000 70747.000000 17715.000000 15178.000000 17124.000000 21586.000000 39994116.000000 39994116.000000 39994116.000000 39994116.000000 1.017211 1.014507 1.019191 1.023166 + 5678.228341 24999334.000000 7937485.000000 47124.000000 374.000000 103008.000000 91147.000000 104405.000000 141715.000000 53452.000000 45910.000000 51977.000000 71598.000000 17315.000000 15258.000000 17514.000000 21951.000000 39994174.000000 39994174.000000 39994174.000000 39994174.000000 1.017367 1.014705 1.019442 1.023363 + 5681.660703 24999430.000000 7878239.000000 47128.000000 375.000000 103918.000000 89667.000000 103370.000000 140366.000000 54061.000000 44738.000000 51299.000000 70348.000000 17332.000000 15033.000000 17417.000000 21830.000000 39994327.000000 39994327.000000 39994327.000000 39994327.000000 1.017199 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1.023117 + 5706.457551 24999484.000000 7955587.000000 47047.000000 373.000000 102804.000000 89128.000000 103084.000000 140139.000000 53300.000000 44400.000000 50919.000000 70427.000000 17244.000000 14853.000000 17089.000000 21430.000000 39994415.000000 39994415.000000 39994415.000000 39994415.000000 1.017199 1.014379 1.019193 1.023096 + 5710.107681 24999328.000000 7951914.000000 46950.000000 374.000000 102961.000000 89655.000000 102650.000000 139320.000000 53778.000000 44809.000000 51239.000000 70089.000000 17069.000000 15057.000000 17267.000000 21291.000000 39994164.000000 39994164.000000 39994164.000000 39994164.000000 1.017099 1.014463 1.019111 1.022965 + 5713.785483 24999490.000000 7997622.000000 47061.000000 374.000000 102334.000000 90138.000000 102851.000000 140828.000000 53023.000000 44993.000000 51092.000000 70875.000000 17165.000000 14968.000000 17135.000000 21823.000000 39994423.000000 39994423.000000 39994423.000000 39994423.000000 1.017218 1.014547 1.019156 1.023222 + 5717.493124 24999297.000000 7825313.000000 47016.000000 374.000000 102984.000000 87412.000000 100951.000000 136949.000000 53561.000000 43790.000000 50270.000000 68666.000000 17099.000000 14605.000000 17020.000000 21264.000000 39994114.000000 39994114.000000 39994114.000000 39994114.000000 1.016779 1.014097 1.018788 1.022558 + 5721.230718 24999424.000000 7703273.000000 47008.000000 374.000000 100464.000000 86189.000000 99124.000000 134511.000000 52058.000000 43459.000000 49136.000000 67964.000000 16892.000000 14516.000000 16802.000000 20877.000000 39994318.000000 39994318.000000 39994318.000000 39994318.000000 1.016517 1.013899 1.018444 1.022157 + 5724.992169 24999394.000000 7751498.000000 46991.000000 374.000000 98907.000000 85903.000000 99297.000000 134305.000000 51517.000000 42820.000000 49036.000000 67604.000000 16579.000000 14490.000000 16774.000000 20560.000000 39994270.000000 39994270.000000 39994270.000000 39994270.000000 1.016414 1.013850 1.018473 1.022112 + 5728.780674 24999544.000000 7642941.000000 47106.000000 374.000000 98296.000000 84718.000000 97752.000000 134173.000000 50896.000000 42278.000000 48464.000000 67371.000000 16402.000000 14192.000000 16384.000000 20627.000000 39994511.000000 39994511.000000 39994511.000000 39994511.000000 1.016408 1.013666 1.018191 1.022098 + 5732.597377 24999352.000000 7531744.000000 47105.000000 374.000000 98231.000000 84103.000000 96171.000000 130648.000000 51221.000000 42180.000000 48087.000000 65891.000000 16213.000000 14059.000000 16145.000000 20179.000000 39994203.000000 39994203.000000 39994203.000000 39994203.000000 1.015968 1.013549 1.017878 1.021488 diff --git a/conversion_examples/MultiElementFluor/V_XANES_ap3_new.001 b/conversion_examples/MultiElementFluor/V_XANES_ap3_new.001 new file mode 100644 index 0000000..15f0fcd --- /dev/null +++ b/conversion_examples/MultiElementFluor/V_XANES_ap3_new.001 @@ -0,0 +1,460 @@ +# XDI/1.1 +# Column.1: energy eV +# Column.2: norm +# Column.3: ifluor +# Column.4: i0 +# Column.5: tscaler +# Column.6: i1 +# Column.7: i2 +# Column.8: outputcounts_mca1 +# Column.9: outputcounts_mca2 +# Column.10: outputcounts_mca3 +# Column.11: outputcounts_mca4 +# Column.12: ca_ka_mca1 +# Column.13: ca_ka_mca2 +# Column.14: ca_ka_mca3 +# Column.15: ca_ka_mca4 +# Column.16: v_ka_mca1 +# Column.17: v_ka_mca2 +# Column.18: v_ka_mca3 +# Column.19: v_ka_mca4 +# Column.20: clock_mca1 +# Column.21: clock_mca2 +# Column.22: clock_mca3 +# Column.23: clock_mca4 +# Column.24: dtfactor_mca1 +# Column.25: dtfactor_mca2 +# Column.26: dtfactor_mca3 +# Column.27: dtfactor_mca4 +# Legend.End: here +# Scan.end_time: 2018-11-27 07:11:09 +# ExtraPVs.Start: Family.Member: Value | PV +# Beamline.FOE_Slit_HPos: 0.0250 || 13IDA:m5.VAL +# Beamline.FOE_Slit_HWid: 0.8000 || 13IDA:m6.VAL +# Beamline.FOE_Slit_VPos: -0.1250 || 13IDA:m7.VAL +# Beamline.FOE_Slit_VWid: 0.2500 || 13IDA:m8.VAL +# Beamline.FluxEstimate: 2.201e+12 || 13XRM:ION:FluxOut.VAL +# Beamline.I0_Sensitivity_Number: 100 || 13IDE:A1sens_num.VAL +# Beamline.I0_Sensitivity_Unit: nA/V || 13IDE:A1sens_unit.VAL +# Beamline.I1_Sensitivity_Number: 200 || 13IDE:A2sens_num.VAL +# Beamline.I1_Sensitivity_Unit: nA/V || 13IDE:A2sens_unit.VAL +# Beamline.I2_Sensitivity_Number: 20 || 13IDE:A3sens_num.VAL +# Beamline.I2_Sensitivity_Unit: nA/V || 13IDE:A3sens_unit.VAL +# Beamline.SSA_Slit_HPos: 0 || 13IDA:m69.VAL +# Beamline.SSA_Slit_HWid: 0.0500 || 13IDA:m70.VAL +# Beamline.SSA_Slit_VPos: 0.7500 || 13IDA:m71.VAL +# Beamline.SSA_Slit_VWid: 0.3000 || 13IDA:m72.VAL +# DetectorStage.X: 15380.0 || 13IDE:m34.VAL +# DetectorStage.Y: 291.740 || 13IDE:m4.VAL +# DetectorStage.Z: 125.0000 || 13IDE:m19.VAL +# Facility.Ring_Current: 87.0 || S:SRcurrentAI.VAL +# Facility.Ring_Lifetime: 74.4 || S:SRlifeTimeHrsCC.VAL +# Monochromator.d_spacing: 3.13477 || 13IDE:En:dspace.VAL +# Monochromator.height: 24.90000 || 13IDE:En:height.VAL +# Monochromator.theta_offset: 17.54913 || 13IDA:m65.OFF +# Monochromator.xtal2_pitch: -0.1160 || 13IDA:m67.VAL +# Monochromator.xtal2_rol: 1.0400 || 13IDA:m68.VAL +# Monochromator.xtal2_y: 13.3075 || 13IDA:m66.VAL +# Monochromator.xtal2_y_off: 11.6000 || 13IDA:m66.OFF +# SampleStage.CoarseX: 130.7285 || 13XRM:m4.VAL +# SampleStage.CoarseY: 89.3002 || 13XRM:m5.VAL +# SampleStage.CoarseZ: 211.0609 || 13XRM:m6.VAL +# SampleStage.FineX: 0.18404 || 13XRM:m1.VAL +# SampleStage.FineY: 0.32800 || 13XRM:m2.VAL +# SampleStage.Theta: 0 || 13XRM:m3.VAL +# Undulator.Energy: 5.798 || ID13us:Energy.VAL +# Monochromator.Energy: 5600.00000 || 13IDE:En:Energy.VAL +# ExtraPVs.End: here +# ScanParameters.Start: Scan.Member: Value +# ScanParameters.ScanType: xafs +# ScanParameters.element: V +# ScanParameters.edge: K +# ScanParameters.E0: 5465.000 +# ScanParameters.Legend: Start, Stop, Step, K-space, Time +# ScanParameters.Region1: -100.000, -10.000, 2.500 False 0.50 +# ScanParameters.Region2: -10.000, 25.008, 0.150 False 0.50 +# ScanParameters.Region3: 2.562, 8.500, 0.060 True 0.50 +# ScanParameters.End: here +# Process.program: xraylarch +# Process.version: 0.9.80 +# Process.command: pre_edge(data, nvict=0, pre1=-150, pre2=-50, norm1=150, norm2=750, make_flat=True) +# Process.step1: using col1..col27 for 27 from arrays in rawdata +# Process.step2: energy = col1 # column 1: energy (eV) +# Process.step3: i0 = col4 # column 4: incident beam intensity +# Process.step4: # fluorescence: sum 4 channels, with deadtime corection from columns in the data +# Process.step5: ifluor = col16*col24+col17*col25+col18*col26+col19*col27 +# Process.step6: mu = iflour/i0 +# Process.step7: edge_step = 0.010106968 +# Process.step8: pre_edge = -7.792118e-4 + 1.648713e-7*energy +# Process.step9: intensity = norm = (mu - pre_edge) /edge_step +# /// Users Comments /// +# +#--------------------------------- +# energy norm ifluor i0 tscaler i1 i2 outputcounts_mca1 outputcounts_mca2 outputcounts_mca3 outputcounts_mca4 ca_ka_mca1 ca_ka_mca2 ca_ka_mca3 ca_ka_mca4 v_ka_mca1 v_ka_mca2 v_ka_mca3 v_ka_mca4 clock_mca1 clock_mca2 clock_mca3 clock_mca4 dtfactor_mca1 dtfactor_mca2 dtfactor_mca3 dtfactor_mca4 + 5365.01623500 0.00125969734 1242.05461200 10520784.0000 24999514.0000 47124.0000000 373.000000000 282899.000000 90903.0000000 106254.000000 144971.000000 194529.000000 60317.0000000 69855.0000000 96306.0000000 255.000000000 342.000000000 286.000000000 336.000000000 39994462.0000 39994462.0000 39994462.0000 39994462.0000 1.01737400000 1.01460800000 1.01972700000 1.02376900000 + 5367.50841300 0.00005434644 1100.12348100 10350628.0000 24999316.0000 47135.0000000 374.000000000 104601.000000 89470.0000000 105035.000000 142478.000000 71859.0000000 59274.0000000 68918.0000000 95034.0000000 99.0000000000 371.000000000 301.000000000 309.000000000 39994145.0000 39994145.0000 39994145.0000 39994145.0000 1.01716700000 1.01438000000 1.01950100000 1.02336300000 + 5370.01572200 0.00003337188 1100.20576000 10331825.0000 24999460.0000 47033.0000000 374.000000000 103352.000000 89967.0000000 104835.000000 142197.000000 71220.0000000 59673.0000000 68858.0000000 94466.0000000 95.0000000000 385.000000000 255.000000000 345.000000000 39994376.0000 39994376.0000 39994376.0000 39994376.0000 1.01719200000 1.01445700000 1.01946100000 1.02331600000 + 5372.51742900 -0.00016744846 1099.42775600 10483736.0000 24999447.0000 47000.0000000 374.000000000 103521.000000 90966.0000000 106297.000000 144669.000000 71568.0000000 60076.0000000 70047.0000000 96347.0000000 107.000000000 376.000000000 271.000000000 325.000000000 39994355.0000 39994355.0000 39994355.0000 39994355.0000 1.01747300000 1.01462200000 1.01973800000 1.02372700000 + 5375.01803400 0.00009010378 1123.84459900 10417042.0000 24999448.0000 46980.0000000 374.000000000 105202.000000 90451.0000000 105664.000000 143764.000000 72439.0000000 60140.0000000 69440.0000000 95783.0000000 110.000000000 372.000000000 277.000000000 344.000000000 39994357.0000 39994357.0000 39994357.0000 39994357.0000 1.01722300000 1.01453600000 1.01961700000 1.02357200000 + 5377.52024500 -0.00029273397 1087.24999900 10411439.0000 24999556.0000 47000.0000000 374.000000000 103687.000000 90299.0000000 105617.000000 143972.000000 71469.0000000 59940.0000000 69417.0000000 96042.0000000 85.0000000000 368.000000000 266.000000000 348.000000000 39994529.0000 39994529.0000 39994529.0000 39994529.0000 1.01735700000 1.01451400000 1.01961100000 1.02361200000 + 5380.02044000 0.00018774788 1152.74851400 10508494.0000 24999189.0000 46912.0000000 374.000000000 104497.000000 91475.0000000 106555.000000 144899.000000 71983.0000000 60829.0000000 70166.0000000 96461.0000000 122.000000000 360.000000000 279.000000000 370.000000000 39993942.0000 39993942.0000 39993942.0000 39993942.0000 1.01757000000 1.01470000000 1.01978600000 1.02376400000 + 5382.51951500 0.00023996331 1155.41207700 10443308.0000 24999370.0000 46985.0000000 374.000000000 105825.000000 90069.0000000 105811.000000 143169.000000 73310.0000000 59818.0000000 69834.0000000 95149.0000000 106.000000000 389.000000000 276.000000000 363.000000000 39994231.0000 39994231.0000 39994231.0000 39994231.0000 1.01732800000 1.01447500000 1.01964500000 1.02347800000 + 5385.02018600 -0.00042555430 1093.31432500 10480137.0000 24999520.0000 46938.0000000 374.000000000 104358.000000 91265.0000000 107014.000000 144432.000000 71963.0000000 60422.0000000 70678.0000000 96053.0000000 92.0000000000 391.000000000 261.000000000 329.000000000 39994471.0000 39994471.0000 39994471.0000 39994471.0000 1.01742100000 1.01466600000 1.01986900000 1.02368200000 + 5387.52063800 -0.00006033085 1147.62247400 10584377.0000 24999394.0000 46993.0000000 374.000000000 104905.000000 91736.0000000 107288.000000 146130.000000 72536.0000000 60801.0000000 70521.0000000 97336.0000000 97.0000000000 381.000000000 308.000000000 340.000000000 39994270.0000 39994270.0000 39994270.0000 39994270.0000 1.01762200000 1.01475200000 1.01993100000 1.02398200000 + 5390.01904500 -0.00052992634 1099.01856400 10558166.0000 24999345.0000 46704.0000000 375.000000000 106005.000000 91808.0000000 107658.000000 145794.000000 72721.0000000 60914.0000000 70728.0000000 97101.0000000 108.000000000 326.000000000 280.000000000 364.000000000 39994191.0000 39994191.0000 39994191.0000 39994191.0000 1.01763300000 1.01475600000 1.01999400000 1.02391600000 + 5392.51995100 -0.00026825360 1133.43983800 10578180.0000 24999418.0000 46741.0000000 374.000000000 106164.000000 92115.0000000 107772.000000 146148.000000 72911.0000000 60930.0000000 70674.0000000 97237.0000000 109.000000000 371.000000000 284.000000000 348.000000000 39994308.0000 39994308.0000 39994308.0000 39994308.0000 1.01761500000 1.01480500000 1.02001600000 1.02397300000 + 5395.02153600 -0.00012466727 1160.01523900 10641120.0000 24999448.0000 46825.0000000 375.000000000 106046.000000 92523.0000000 108090.000000 146782.000000 73074.0000000 61088.0000000 71168.0000000 97346.0000000 102.000000000 390.000000000 287.000000000 359.000000000 39994356.0000 39994356.0000 39994356.0000 39994356.0000 1.01772500000 1.01487300000 1.02007700000 1.02408000000 + 5397.52106300 0.00010982699 1171.99553200 10483468.0000 24999382.0000 47042.0000000 374.000000000 106687.000000 91723.0000000 106208.000000 144825.000000 73245.0000000 60789.0000000 69389.0000000 96060.0000000 108.000000000 381.000000000 303.000000000 358.000000000 39994250.0000 39994250.0000 39994250.0000 39994250.0000 1.01756900000 1.01474200000 1.01972400000 1.02375700000 + 5400.02217300 -0.00046939366 1108.70981500 10424826.0000 24999387.0000 47028.0000000 374.000000000 105787.000000 90543.0000000 106417.000000 144220.000000 72698.0000000 59849.0000000 70128.0000000 95375.0000000 95.0000000000 374.000000000 269.000000000 350.000000000 39994259.0000 39994259.0000 39994259.0000 39994259.0000 1.01751100000 1.01455900000 1.01976600000 1.02366900000 + 5402.52395300 -0.00038459095 1123.82524100 10442298.0000 24999580.0000 47048.0000000 373.000000000 105390.000000 90978.0000000 105698.000000 144152.000000 72806.0000000 60199.0000000 69547.0000000 95835.0000000 107.000000000 379.000000000 291.000000000 326.000000000 39994567.0000 39994567.0000 39994567.0000 39994567.0000 1.01743000000 1.01462200000 1.01962500000 1.02364300000 + 5405.02274100 0.00004925906 1180.28791400 10498980.0000 24999400.0000 47097.0000000 374.000000000 104944.000000 91293.0000000 106581.000000 145426.000000 72317.0000000 60626.0000000 69669.0000000 96545.0000000 95.0000000000 387.000000000 289.000000000 387.000000000 39994279.0000 39994279.0000 39994279.0000 39994279.0000 1.01748500000 1.01467200000 1.01979100000 1.02384800000 + 5407.52127300 -0.00058158874 1104.48716800 10375129.0000 24999333.0000 47067.0000000 374.000000000 105269.000000 89876.0000000 105946.000000 142951.000000 72533.0000000 59567.0000000 69679.0000000 94692.0000000 105.000000000 357.000000000 281.000000000 341.000000000 39994173.0000 39994173.0000 39994173.0000 39994173.0000 1.01726600000 1.01444200000 1.01966700000 1.02343700000 + 5410.02137800 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1.01437900000 1.01919300000 1.02309600000 + 5710.10768100 0.87996548225 72012.5696740 7951914.00000 24999328.0000 46950.0000000 374.000000000 102961.000000 89655.0000000 102650.000000 139320.000000 53778.0000000 44809.0000000 51239.0000000 70089.0000000 17069.0000000 15057.0000000 17267.0000000 21291.0000000 39994164.0000 39994164.0000 39994164.0000 39994164.0000 1.01709900000 1.01446300000 1.01911100000 1.02296500000 + 5713.78548300 0.88006380046 72439.2982320 7997622.00000 24999490.0000 47061.0000000 374.000000000 102334.000000 90138.0000000 102851.000000 140828.000000 53023.0000000 44993.0000000 51092.0000000 70875.0000000 17165.0000000 14968.0000000 17135.0000000 21823.0000000 39994423.0000 39994423.0000 39994423.0000 39994423.0000 1.01721800000 1.01454700000 1.01915600000 1.02322200000 + 5717.49312400 0.88508162822 71280.2358780 7825313.00000 24999297.0000 47016.0000000 374.000000000 102984.000000 87412.0000000 100951.000000 136949.000000 53561.0000000 43790.0000000 50270.0000000 68666.0000000 17099.0000000 14605.0000000 17020.0000000 21264.0000000 39994114.0000 39994114.0000 39994114.0000 39994114.0000 1.01677900000 1.01409700000 1.01878800000 1.02255800000 + 5721.23071800 0.88722533422 70340.2308250 7703273.00000 24999424.0000 47008.0000000 374.000000000 100464.000000 86189.0000000 99124.0000000 134511.000000 52058.0000000 43459.0000000 49136.0000000 67964.0000000 16892.0000000 14516.0000000 16802.0000000 20877.0000000 39994318.0000 39994318.0000 39994318.0000 39994318.0000 1.01651700000 1.01389900000 1.01844400000 1.02215700000 + 5724.99216900 0.87260921084 69640.3030280 7751498.00000 24999394.0000 46991.0000000 374.000000000 98907.0000000 85903.0000000 99297.0000000 134305.000000 51517.0000000 42820.0000000 49036.0000000 67604.0000000 16579.0000000 14490.0000000 16774.0000000 20560.0000000 39994270.0000 39994270.0000 39994270.0000 39994270.0000 1.01641400000 1.01385000000 1.01847300000 1.02211200000 + 5728.78067400 0.87457873382 68821.9286780 7642941.00000 24999544.0000 47106.0000000 374.000000000 98296.0000000 84718.0000000 97752.0000000 134173.000000 50896.0000000 42278.0000000 48464.0000000 67371.0000000 16402.0000000 14192.0000000 16384.0000000 20627.0000000 39994511.0000 39994511.0000 39994511.0000 39994511.0000 1.01640800000 1.01366600000 1.01819100000 1.02209800000 + 5732.59737700 0.87381998908 67767.6212370 7531744.00000 24999352.0000 47105.0000000 374.000000000 98231.0000000 84103.0000000 96171.0000000 130648.000000 51221.0000000 42180.0000000 48087.0000000 65891.0000000 16213.0000000 14059.0000000 16145.0000000 20179.0000000 39994203.0000 39994203.0000 39994203.0000 39994203.0000 1.01596800000 1.01354900000 1.01787800000 1.02148800000 diff --git a/conversion_examples/MultiElementFluor/V_XANES_ap4.001 b/conversion_examples/MultiElementFluor/V_XANES_ap4.001 new file mode 100755 index 0000000..bd591cb --- /dev/null +++ b/conversion_examples/MultiElementFluor/V_XANES_ap4.001 @@ -0,0 +1,448 @@ +#XDI/1.1 Epics StepScan File / 2.0 +# Scan.start_time: 2018-11-27 07:11:24 +# Legend.Start: Column.N: Name units || EpicsPV +# Column.1: Energy eV || 13IDE:En:Energy.VAL +# Column.2: TSCALER counts || 13IDE:SIS1:mca1 +# Column.3: I0 counts || 13IDE:SIS1:mca2 +# Column.4: I1 counts || 13IDE:SIS1:mca3 +# Column.5: I2 counts || 13IDE:SIS1:mca4 +# Column.6: OutputCounts_mca1 counts || 13QX4:MCA1ROI:1:TSTotal +# Column.7: OutputCounts_mca2 counts || 13QX4:MCA2ROI:1:TSTotal +# Column.8: OutputCounts_mca3 counts || 13QX4:MCA3ROI:1:TSTotal +# Column.9: OutputCounts_mca4 counts || 13QX4:MCA4ROI:1:TSTotal +# Column.10: Ca_Ka_mca1 counts || 13QX4:MCA1ROI:7:TSTotal +# Column.11: Ca_Ka_mca2 counts || 13QX4:MCA2ROI:7:TSTotal +# Column.12: Ca_Ka_mca3 counts || 13QX4:MCA3ROI:7:TSTotal +# Column.13: Ca_Ka_mca4 counts || 13QX4:MCA4ROI:7:TSTotal +# Column.14: V_Ka_mca1 counts || 13QX4:MCA1ROI:10:TSTotal +# Column.15: V_Ka_mca2 counts || 13QX4:MCA2ROI:10:TSTotal +# Column.16: V_Ka_mca3 counts || 13QX4:MCA3ROI:10:TSTotal +# Column.17: V_Ka_mca4 counts || 13QX4:MCA4ROI:10:TSTotal +# Column.18: Clock_mca1 counts || 13QX4:C1SCA0:TSArrayValue +# Column.19: Clock_mca2 counts || 13QX4:C2SCA0:TSArrayValue +# Column.20: Clock_mca3 counts || 13QX4:C3SCA0:TSArrayValue +# Column.21: Clock_mca4 counts || 13QX4:C4SCA0:TSArrayValue +# Column.22: DTFactor_mca1 counts || 13QX4:C1SCA8:TSArrayValue +# Column.23: DTFactor_mca2 counts || 13QX4:C2SCA8:TSArrayValue +# Column.24: DTFactor_mca3 counts || 13QX4:C3SCA8:TSArrayValue +# Column.25: DTFactor_mca4 counts || 13QX4:C4SCA8:TSArrayValue +# Legend.End: here +# Scan.end_time: 2018-11-27 07:14:31 +# ExtraPVs.Start: Family.Member: Value | PV +# Beamline.FOE_Slit_HPos: 0.0250 || 13IDA:m5.VAL +# Beamline.FOE_Slit_HWid: 0.8000 || 13IDA:m6.VAL +# Beamline.FOE_Slit_VPos: -0.1250 || 13IDA:m7.VAL +# Beamline.FOE_Slit_VWid: 0.2500 || 13IDA:m8.VAL +# Beamline.FluxEstimate: 2.539e+12 || 13XRM:ION:FluxOut.VAL +# Beamline.I0_Sensitivity_Number: 100 || 13IDE:A1sens_num.VAL +# Beamline.I0_Sensitivity_Unit: nA/V || 13IDE:A1sens_unit.VAL +# Beamline.I1_Sensitivity_Number: 200 || 13IDE:A2sens_num.VAL +# Beamline.I1_Sensitivity_Unit: nA/V || 13IDE:A2sens_unit.VAL +# Beamline.I2_Sensitivity_Number: 20 || 13IDE:A3sens_num.VAL +# Beamline.I2_Sensitivity_Unit: nA/V || 13IDE:A3sens_unit.VAL +# Beamline.SSA_Slit_HPos: 0 || 13IDA:m69.VAL +# Beamline.SSA_Slit_HWid: 0.0500 || 13IDA:m70.VAL +# Beamline.SSA_Slit_VPos: 0.7500 || 13IDA:m71.VAL +# Beamline.SSA_Slit_VWid: 0.3000 || 13IDA:m72.VAL +# DetectorStage.X: 15380.0 || 13IDE:m34.VAL +# DetectorStage.Y: 291.740 || 13IDE:m4.VAL +# DetectorStage.Z: 125.0000 || 13IDE:m19.VAL +# Facility.Ring_Current: 86.9 || S:SRcurrentAI.VAL +# Facility.Ring_Lifetime: 77.4 || S:SRlifeTimeHrsCC.VAL +# Mono.dspacing: 3.13477 || 13IDE:En:dspace.VAL +# Mono.height: 24.90000 || 13IDE:En:height.VAL +# Mono.theta_offset: 17.54913 || 13IDA:m65.OFF +# Mono.xtal2_pitch: -0.1160 || 13IDA:m67.VAL +# Mono.xtal2_rol: 1.0400 || 13IDA:m68.VAL +# Mono.xtal2_y: 13.3075 || 13IDA:m66.VAL +# Mono.xtal2_y_off: 11.6000 || 13IDA:m66.OFF +# SampleStage.CoarseX: 130.7285 || 13XRM:m4.VAL +# SampleStage.CoarseY: 89.3002 || 13XRM:m5.VAL +# SampleStage.CoarseZ: 211.0609 || 13XRM:m6.VAL +# SampleStage.FineX: 0.59602 || 13XRM:m1.VAL +# SampleStage.FineY: 0.39200 || 13XRM:m2.VAL +# SampleStage.Theta: 0 || 13XRM:m3.VAL +# Undulator.Energy: 5.771 || ID13us:Energy.VAL +# Mono.Energy: 5599.50000 || 13IDE:En:Energy.VAL +# ExtraPVs.End: here +# ScanParameters.Start: Scan.Member: Value +# ScanParameters.ScanType: xafs +# ScanParameters.element: V +# ScanParameters.edge: K +# ScanParameters.E0: 5465.000 +# ScanParameters.Legend: Start, Stop, Step, K-space, Time +# ScanParameters.Region1: -100.000, -10.000, 2.500 False 0.50 +# ScanParameters.Region2: -10.000, 25.008, 0.150 False 0.50 +# ScanParameters.Region3: 2.562, 8.500, 0.060 True 0.50 +# ScanParameters.End: here +# /// Users Comments /// +# +# ------------------------ +# Energy TSCALER I0 I1 I2 OutputCounts_mca1 OutputCounts_mca2 OutputCounts_mca3 OutputCounts_mca4 Ca_Ka_mca1 Ca_Ka_mca2 Ca_Ka_mca3 Ca_Ka_mca4 V_Ka_mca1 V_Ka_mca2 V_Ka_mca3 V_Ka_mca4 Clock_mca1 Clock_mca2 Clock_mca3 Clock_mca4 DTFactor_mca1 DTFactor_mca2 DTFactor_mca3 DTFactor_mca4 + 5365.015335 24999549.000000 10475539.000000 47189.000000 373.000000 104792.000000 90458.000000 106036.000000 145026.000000 72294.000000 59948.000000 69672.000000 96629.000000 100.000000 359.000000 283.000000 318.000000 39994518.000000 39994518.000000 39994518.000000 39994518.000000 1.017405 1.014539 1.019689 1.023778 + 5367.512019 24999322.000000 10324543.000000 47144.000000 373.000000 103083.000000 89354.000000 104498.000000 143592.000000 71168.000000 59424.000000 68912.000000 95270.000000 96.000000 348.000000 263.000000 344.000000 39994155.000000 39994155.000000 39994155.000000 39994155.000000 1.017129 1.014363 1.019402 1.023545 + 5370.014819 24999478.000000 10339624.000000 47120.000000 373.000000 103786.000000 88985.000000 104405.000000 143948.000000 71389.000000 58959.000000 68502.000000 95690.000000 108.000000 369.000000 245.000000 330.000000 39994404.000000 39994404.000000 39994404.000000 39994404.000000 1.017242 1.014305 1.019385 1.023602 + 5372.516525 24999676.000000 10432681.000000 47188.000000 374.000000 105018.000000 90521.000000 105426.000000 146112.000000 72476.000000 60007.000000 69311.000000 97374.000000 91.000000 366.000000 271.000000 334.000000 39994721.000000 39994721.000000 39994721.000000 39994721.000000 1.017449 1.014551 1.019576 1.023961 + 5375.018938 24999208.000000 10376342.000000 47189.000000 373.000000 103508.000000 89698.000000 104837.000000 144953.000000 71596.000000 59511.000000 69080.000000 96083.000000 92.000000 359.000000 267.000000 354.000000 39993972.000000 39993972.000000 39993972.000000 39993972.000000 1.017205 1.014419 1.019466 1.023767 + 5377.517530 24999400.000000 10351756.000000 47200.000000 373.000000 103608.000000 88951.000000 105366.000000 143866.000000 71313.000000 58959.000000 69224.000000 95684.000000 91.000000 340.000000 267.000000 319.000000 39994279.000000 39994279.000000 39994279.000000 39994279.000000 1.017211 1.014299 1.019562 1.023588 + 5380.016816 24999315.000000 10488324.000000 47207.000000 373.000000 105209.000000 90824.000000 106513.000000 145990.000000 72538.000000 60188.000000 70135.000000 97559.000000 91.000000 413.000000 284.000000 351.000000 39994143.000000 39994143.000000 39994143.000000 39994143.000000 1.017485 1.014603 1.019781 1.023948 + 5382.519515 24999952.000000 10549150.000000 47227.000000 374.000000 105659.000000 91570.000000 107093.000000 146704.000000 72786.000000 60823.000000 70437.000000 97557.000000 114.000000 388.000000 288.000000 353.000000 39995162.000000 39995162.000000 39995162.000000 39995162.000000 1.017566 1.014726 1.019894 1.024074 + 5385.019279 24998896.000000 10647408.000000 47300.000000 373.000000 107419.000000 92416.000000 108663.000000 148873.000000 74125.000000 61237.000000 71257.000000 99025.000000 107.000000 395.000000 301.000000 362.000000 39993472.000000 39993472.000000 39993472.000000 39993472.000000 1.017850 1.014859 1.020186 1.024424 + 5387.519729 24999400.000000 10545978.000000 47251.000000 374.000000 106087.000000 91416.000000 107436.000000 148052.000000 73004.000000 60472.000000 70519.000000 98410.000000 116.000000 395.000000 255.000000 342.000000 39994279.000000 39994279.000000 39994279.000000 39994279.000000 1.017630 1.014698 1.019955 1.024283 + 5390.020864 24999454.000000 10589738.000000 47252.000000 373.000000 106640.000000 91600.000000 107415.000000 147743.000000 73546.000000 60680.000000 70699.000000 98185.000000 99.000000 410.000000 273.000000 359.000000 39994365.000000 39994365.000000 39994365.000000 39994365.000000 1.017718 1.014728 1.019952 1.024232 + 5392.519951 24999315.000000 10594483.000000 47187.000000 374.000000 106665.000000 91616.000000 107826.000000 147976.000000 73882.000000 60765.000000 71027.000000 98350.000000 96.000000 393.000000 302.000000 369.000000 39994143.000000 39994143.000000 39994143.000000 39994143.000000 1.017725 1.014731 1.020029 1.024275 + 5395.021536 24999496.000000 10620564.000000 47226.000000 373.000000 106680.000000 91821.000000 108132.000000 147582.000000 73521.000000 60784.000000 70959.000000 97768.000000 110.000000 383.000000 295.000000 365.000000 39994433.000000 39994433.000000 39994433.000000 39994433.000000 1.017727 1.014764 1.020086 1.024212 + 5397.521975 24999382.000000 10587967.000000 47161.000000 374.000000 106503.000000 92057.000000 107680.000000 147412.000000 73344.000000 60988.000000 70908.000000 97969.000000 93.000000 372.000000 273.000000 352.000000 39994251.000000 39994251.000000 39994251.000000 39994251.000000 1.017699 1.014801 1.020001 1.024184 + 5400.021259 24999442.000000 10546016.000000 47114.000000 373.000000 106280.000000 91417.000000 107069.000000 147513.000000 73204.000000 60525.000000 70147.000000 97864.000000 102.000000 363.000000 295.000000 368.000000 39994346.000000 39994346.000000 39994346.000000 39994346.000000 1.017661 1.014698 1.019887 1.024195 + 5402.522125 24999316.000000 10557035.000000 47212.000000 374.000000 106344.000000 91771.000000 107347.000000 147749.000000 72999.000000 60950.000000 70693.000000 97994.000000 96.000000 398.000000 279.000000 356.000000 39994145.000000 39994145.000000 39994145.000000 39994145.000000 1.017674 1.014757 1.019941 1.024240 + 5405.019996 24999454.000000 10584452.000000 47227.000000 373.000000 106572.000000 92280.000000 107128.000000 147714.000000 73371.000000 61018.000000 70311.000000 98238.000000 82.000000 364.000000 316.000000 345.000000 39994366.000000 39994366.000000 39994366.000000 39994366.000000 1.017716 1.014839 1.019902 1.024239 + 5407.520357 24999513.000000 10462043.000000 47158.000000 374.000000 105208.000000 91177.000000 106153.000000 146341.000000 72618.000000 60203.000000 69466.000000 97380.000000 110.000000 361.000000 285.000000 322.000000 39994460.000000 39994460.000000 39994460.000000 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4206.000000 3770.000000 4293.000000 5470.000000 39994856.000000 39994856.000000 39994856.000000 39994856.000000 1.013943 1.011616 1.015603 1.018923 + 5710.107681 24999388.000000 7885084.000000 46798.000000 373.000000 84029.000000 72172.000000 83483.000000 115612.000000 53988.000000 44696.000000 50947.000000 71628.000000 4106.000000 3795.000000 4278.000000 5433.000000 39994260.000000 39994260.000000 39994260.000000 39994260.000000 1.013943 1.011587 1.015462 1.018907 + 5713.787545 24999124.000000 7784243.000000 46722.000000 373.000000 82623.000000 71054.000000 82713.000000 114159.000000 53138.000000 43863.000000 50645.000000 70798.000000 4133.000000 3647.000000 4352.000000 5297.000000 39993838.000000 39993838.000000 39993838.000000 39993838.000000 1.013701 1.011403 1.015312 1.018655 + 5717.495189 24999712.000000 7905339.000000 46829.000000 373.000000 83244.000000 72153.000000 83666.000000 116000.000000 53176.000000 44365.000000 51459.000000 71699.000000 4055.000000 3797.000000 4220.000000 5413.000000 39994778.000000 39994778.000000 39994778.000000 39994778.000000 1.013811 1.011579 1.015491 1.018956 + 5721.228651 24999046.000000 7910951.000000 46836.000000 373.000000 83219.000000 71801.000000 83149.000000 114754.000000 53481.000000 44240.000000 51185.000000 70882.000000 4174.000000 3832.000000 4197.000000 5518.000000 39993712.000000 39993712.000000 39993712.000000 39993712.000000 1.013808 1.011525 1.015397 1.018764 + 5724.991133 24999370.000000 7923566.000000 46867.000000 373.000000 84038.000000 71881.000000 83245.000000 115263.000000 53674.000000 44192.000000 51144.000000 71391.000000 4229.000000 3742.000000 4236.000000 5466.000000 39994231.000000 39994231.000000 39994231.000000 39994231.000000 1.013944 1.011541 1.015418 1.018852 + 5728.780674 24999430.000000 7808539.000000 46935.000000 373.000000 82246.000000 70895.000000 81504.000000 113564.000000 52226.000000 43609.000000 49970.000000 70141.000000 4164.000000 3819.000000 4124.000000 5454.000000 39994327.000000 39994327.000000 39994327.000000 39994327.000000 1.013642 1.011378 1.015091 1.018562 + 5732.596339 24999406.000000 7658882.000000 46905.000000 373.000000 80989.000000 69752.000000 79893.000000 110602.000000 51935.000000 43016.000000 49094.000000 68391.000000 4034.000000 3628.000000 4208.000000 5257.000000 39994288.000000 39994288.000000 39994288.000000 39994288.000000 1.013424 1.011191 1.014787 1.018073 diff --git a/conversion_examples/MultiElementFluor/V_XANES_ap4_new.001 b/conversion_examples/MultiElementFluor/V_XANES_ap4_new.001 new file mode 100644 index 0000000..c02e50b --- /dev/null +++ b/conversion_examples/MultiElementFluor/V_XANES_ap4_new.001 @@ -0,0 +1,460 @@ +# XDI/1.1 +# Column.1: energy eV +# Column.2: norm +# Column.3: ifluor +# Column.4: i0 +# Column.5: tscaler +# Column.6: i1 +# Column.7: i2 +# Column.8: outputcounts_mca1 +# Column.9: outputcounts_mca2 +# Column.10: outputcounts_mca3 +# Column.11: outputcounts_mca4 +# Column.12: ca_ka_mca1 +# Column.13: ca_ka_mca2 +# Column.14: ca_ka_mca3 +# Column.15: ca_ka_mca4 +# Column.16: v_ka_mca1 +# Column.17: v_ka_mca2 +# Column.18: v_ka_mca3 +# Column.19: v_ka_mca4 +# Column.20: clock_mca1 +# Column.21: clock_mca2 +# Column.22: clock_mca3 +# Column.23: clock_mca4 +# Column.24: dtfactor_mca1 +# Column.25: dtfactor_mca2 +# Column.26: dtfactor_mca3 +# Column.27: dtfactor_mca4 +# Legend.End: here +# Scan.end_time: 2018-11-27 07:14:31 +# ExtraPVs.Start: Family.Member: Value | PV +# Beamline.FOE_Slit_HPos: 0.0250 || 13IDA:m5.VAL +# Beamline.FOE_Slit_HWid: 0.8000 || 13IDA:m6.VAL +# Beamline.FOE_Slit_VPos: -0.1250 || 13IDA:m7.VAL +# Beamline.FOE_Slit_VWid: 0.2500 || 13IDA:m8.VAL +# Beamline.FluxEstimate: 2.539e+12 || 13XRM:ION:FluxOut.VAL +# Beamline.I0_Sensitivity_Number: 100 || 13IDE:A1sens_num.VAL +# Beamline.I0_Sensitivity_Unit: nA/V || 13IDE:A1sens_unit.VAL +# Beamline.I1_Sensitivity_Number: 200 || 13IDE:A2sens_num.VAL +# Beamline.I1_Sensitivity_Unit: nA/V || 13IDE:A2sens_unit.VAL +# Beamline.I2_Sensitivity_Number: 20 || 13IDE:A3sens_num.VAL +# Beamline.I2_Sensitivity_Unit: nA/V || 13IDE:A3sens_unit.VAL +# Beamline.SSA_Slit_HPos: 0 || 13IDA:m69.VAL +# Beamline.SSA_Slit_HWid: 0.0500 || 13IDA:m70.VAL +# Beamline.SSA_Slit_VPos: 0.7500 || 13IDA:m71.VAL +# Beamline.SSA_Slit_VWid: 0.3000 || 13IDA:m72.VAL +# DetectorStage.X: 15380.0 || 13IDE:m34.VAL +# DetectorStage.Y: 291.740 || 13IDE:m4.VAL +# DetectorStage.Z: 125.0000 || 13IDE:m19.VAL +# Facility.Ring_Current: 86.9 || S:SRcurrentAI.VAL +# Facility.Ring_Lifetime: 77.4 || S:SRlifeTimeHrsCC.VAL +# Monochromator.d_spacing: 3.13477 || 13IDE:En:dspace.VAL +# Monochromator.height: 24.90000 || 13IDE:En:height.VAL +# Monochromator.theta_offset: 17.54913 || 13IDA:m65.OFF +# Monochromator.xtal2_pitch: -0.1160 || 13IDA:m67.VAL +# Monochromator.xtal2_rol: 1.0400 || 13IDA:m68.VAL +# Monochromator.xtal2_y: 13.3075 || 13IDA:m66.VAL +# Monochromator.xtal2_y_off: 11.6000 || 13IDA:m66.OFF +# SampleStage.CoarseX: 130.7285 || 13XRM:m4.VAL +# SampleStage.CoarseY: 89.3002 || 13XRM:m5.VAL +# SampleStage.CoarseZ: 211.0609 || 13XRM:m6.VAL +# SampleStage.FineX: 0.59602 || 13XRM:m1.VAL +# SampleStage.FineY: 0.39200 || 13XRM:m2.VAL +# SampleStage.Theta: 0 || 13XRM:m3.VAL +# Undulator.Energy: 5.771 || ID13us:Energy.VAL +# Monochromator.Energy: 5599.50000 || 13IDE:En:Energy.VAL +# ExtraPVs.End: here +# ScanParameters.Start: Scan.Member: Value +# ScanParameters.ScanType: xafs +# ScanParameters.element: V +# ScanParameters.edge: K +# ScanParameters.E0: 5465.000 +# ScanParameters.Legend: Start, Stop, Step, K-space, Time +# ScanParameters.Region1: -100.000, -10.000, 2.500 False 0.50 +# ScanParameters.Region2: -10.000, 25.008, 0.150 False 0.50 +# ScanParameters.Region3: 2.562, 8.500, 0.060 True 0.50 +# ScanParameters.End: here +# Process.program: xraylarch +# Process.version: 0.9.80 +# Process.command: pre_edge(data, nvict=0, pre1=-150, pre2=-50, norm1=150, norm2=750, make_flat=True) +# Process.step1: using col1..col27 for 27 from arrays in rawdata +# Process.step2: energy = col1 # column 1: energy (eV) +# Process.step3: i0 = col4 # column 4: incident beam intensity +# Process.step4: # fluorescence: sum 4 channels, with deadtime corection from columns in the data +# Process.step5: ifluor = col16*col24+col17*col25+col18*col26+col19*col27 +# Process.step6: mu = iflour/i0 +# Process.step7: edge_step = 0.002455327 +# Process.step8: pre_edge = -1.505726e-4 + 4.773394e-8*energy +# Process.step9: intensity = norm = (mu - pre_edge) /edge_step +# /// Users Comments /// +# +#--------------------------------- +# energy norm ifluor i0 tscaler i1 i2 outputcounts_mca1 outputcounts_mca2 outputcounts_mca3 outputcounts_mca4 ca_ka_mca1 ca_ka_mca2 ca_ka_mca3 ca_ka_mca4 v_ka_mca1 v_ka_mca2 v_ka_mca3 v_ka_mca4 clock_mca1 clock_mca2 clock_mca3 clock_mca4 dtfactor_mca1 dtfactor_mca2 dtfactor_mca3 dtfactor_mca4 + 5365.01533500 -0.00098337813 1080.09339200 10475539.0000 24999549.0000 47189.0000000 373.000000000 104792.000000 90458.0000000 106036.000000 145026.000000 72294.0000000 59948.0000000 69672.0000000 96629.0000000 100.000000000 359.000000000 283.000000000 318.000000000 39994518.0000 39994518.0000 39994518.0000 39994518.0000 1.01740500000 1.01453900000 1.01968900000 1.02377800000 + 5367.51201900 -0.00078260176 1070.84491400 10324543.0000 24999322.0000 47144.0000000 373.000000000 103083.000000 89354.0000000 104498.000000 143592.000000 71168.0000000 59424.0000000 68912.0000000 95270.0000000 96.0000000000 348.000000000 263.000000000 344.000000000 39994155.0000 39994155.0000 39994155.0000 39994155.0000 1.01712900000 1.01436300000 1.01940200000 1.02354500000 + 5370.01481900 -0.00086003004 1071.67866600 10339624.0000 24999478.0000 47120.0000000 373.000000000 103786.000000 88985.0000000 104405.000000 143948.000000 71389.0000000 58959.0000000 68502.0000000 95690.0000000 108.000000000 369.000000000 245.000000000 330.000000000 39994404.0000 39994404.0000 39994404.0000 39994404.0000 1.01724200000 1.01430500000 1.01938500000 1.02360200000 + 5372.51652500 -0.00087361747 1082.22159500 10432681.0000 24999676.0000 47188.0000000 374.000000000 105018.000000 90521.0000000 105426.000000 146112.000000 72476.0000000 60007.0000000 69311.0000000 97374.0000000 91.0000000000 366.000000000 271.000000000 334.000000000 39994721.0000 39994721.0000 39994721.0000 39994721.0000 1.01744900000 1.01455100000 1.01957600000 1.02396100000 + 5375.01893800 -0.00029453647 1092.37022100 10376342.0000 24999208.0000 47189.0000000 373.000000000 103508.000000 89698.0000000 104837.000000 144953.000000 71596.0000000 59511.0000000 69080.0000000 96083.0000000 92.0000000000 359.000000000 267.000000000 354.000000000 39993972.0000 39993972.0000 39993972.0000 39993972.0000 1.01720500000 1.01441900000 1.01946600000 1.02376700000 + 5377.51753000 -0.00245219389 1036.17548700 10351756.0000 24999400.0000 47200.0000000 373.000000000 103608.000000 88951.0000000 105366.000000 143866.000000 71313.0000000 58959.0000000 69224.0000000 95684.0000000 91.0000000000 340.000000000 267.000000000 319.000000000 39994279.0000 39994279.0000 39994279.0000 39994279.0000 1.01721100000 1.01429900000 1.01956200000 1.02358800000 + 5380.01681600 0.00180176069 1160.64572600 10488324.0000 24999315.0000 47207.0000000 373.000000000 105209.000000 90824.0000000 106513.000000 145990.000000 72538.0000000 60188.0000000 70135.0000000 97559.0000000 91.0000000000 413.000000000 284.000000000 351.000000000 39994143.0000 39994143.0000 39994143.0000 39994143.0000 1.01748500000 1.01460300000 1.01978100000 1.02394800000 + 5382.51951500 0.00165917458 1164.94380600 10549150.0000 24999952.0000 47227.0000000 374.000000000 105659.000000 91570.0000000 107093.000000 146704.000000 72786.0000000 60823.0000000 70437.0000000 97557.0000000 114.000000000 388.000000000 288.000000000 353.000000000 39995162.0000 39995162.0000 39995162.0000 39995162.0000 1.01756600000 1.01472600000 1.01989400000 1.02407400000 + 5385.01927900 0.00206585500 1187.69672900 10647408.0000 24998896.0000 47300.0000000 373.000000000 107419.000000 92416.0000000 108663.000000 148873.000000 74125.0000000 61237.0000000 71257.0000000 99025.0000000 107.000000000 395.000000000 301.000000000 362.000000000 39993472.0000 39993472.0000 39993472.0000 39993472.0000 1.01785000000 1.01485900000 1.02018600000 1.02442400000 + 5387.51972900 0.00019679779 1129.24410100 10545978.0000 24999400.0000 47251.0000000 374.000000000 106087.000000 91416.0000000 107436.000000 148052.000000 73004.0000000 60472.0000000 70519.0000000 98410.0000000 116.000000000 395.000000000 255.000000000 342.000000000 39994279.0000 39994279.0000 39994279.0000 39994279.0000 1.01763000000 1.01469800000 1.01995500000 1.02428300000 + 5390.02086400 0.00126384573 1162.93874600 10589738.0000 24999454.0000 47252.0000000 373.000000000 106640.000000 91600.0000000 107415.000000 147743.000000 73546.0000000 60680.0000000 70699.0000000 98185.0000000 99.0000000000 410.000000000 273.000000000 359.000000000 39994365.0000 39994365.0000 39994365.0000 39994365.0000 1.01771800000 1.01472800000 1.01995200000 1.02423200000 + 5392.51995100 0.00194710058 1182.49711600 10594483.0000 24999315.0000 47187.0000000 374.000000000 106665.000000 91616.0000000 107826.000000 147976.000000 73882.0000000 60765.0000000 71027.0000000 98350.0000000 96.0000000000 393.000000000 302.000000000 369.000000000 39994143.0000 39994143.0000 39994143.0000 39994143.0000 1.01772500000 1.01473100000 1.02002900000 1.02427500000 + 5395.02153600 0.00151342249 1175.36733200 10620564.0000 24999496.0000 47226.0000000 373.000000000 106680.000000 91821.0000000 108132.000000 147582.000000 73521.0000000 60784.0000000 70959.0000000 97768.0000000 110.000000000 383.000000000 295.000000000 365.000000000 39994433.0000 39994433.0000 39994433.0000 39994433.0000 1.01772700000 1.01476400000 1.02008600000 1.02421200000 + 5397.52197500 -0.00086757330 1111.12502000 10587967.0000 24999382.0000 47161.0000000 374.000000000 106503.000000 92057.0000000 107680.000000 147412.000000 73344.0000000 60988.0000000 70908.0000000 97969.0000000 93.0000000000 372.000000000 273.000000000 352.000000000 39994251.0000 39994251.0000 39994251.0000 39994251.0000 1.01769900000 1.01480100000 1.02000100000 1.02418400000 + 5400.02125900 0.00075158994 1149.90722100 10546016.0000 24999442.0000 47114.0000000 373.000000000 106280.000000 91417.0000000 107069.000000 147513.000000 73204.0000000 60525.0000000 70147.0000000 97864.0000000 102.000000000 363.000000000 295.000000000 368.000000000 39994346.0000 39994346.0000 39994346.0000 39994346.0000 1.01766100000 1.01469800000 1.01988700000 1.02419500000 + 5402.52212500 0.00068963276 1150.76296900 10557035.0000 24999316.0000 47212.0000000 374.000000000 106344.000000 91771.0000000 107347.000000 147749.000000 72999.0000000 60950.0000000 70693.0000000 97994.0000000 96.0000000000 398.000000000 279.000000000 356.000000000 39994145.0000 39994145.0000 39994145.0000 39994145.0000 1.01767400000 1.01475700000 1.01994100000 1.02424000000 + 5405.01999600 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44696.0000000 50947.0000000 71628.0000000 4106.00000000 3795.00000000 4278.00000000 5433.00000000 39994260.0000 39994260.0000 39994260.0000 39994260.0000 1.01394300000 1.01158700000 1.01546200000 1.01890700000 + 5713.78754500 0.87593738910 17692.6663330 7784243.00000 24999124.0000 46722.0000000 373.000000000 82623.0000000 71054.0000000 82713.0000000 114159.000000 53138.0000000 43863.0000000 50645.0000000 70798.0000000 4133.00000000 3647.00000000 4352.00000000 5297.00000000 39993838.0000 39993838.0000 39993838.0000 39993838.0000 1.01370100000 1.01140300000 1.01531200000 1.01865500000 + 5717.49518900 0.86479105945 17752.9499160 7905339.00000 24999712.0000 46829.0000000 373.000000000 83244.0000000 72153.0000000 83666.0000000 116000.000000 53176.0000000 44365.0000000 51459.0000000 71699.0000000 4055.00000000 3797.00000000 4220.00000000 5413.00000000 39994778.0000 39994778.0000 39994778.0000 39994778.0000 1.01381100000 1.01157900000 1.01549100000 1.01895600000 + 5721.22865100 0.87632303428 17990.9593530 7910951.00000 24999046.0000 46836.0000000 373.000000000 83219.0000000 71801.0000000 83149.0000000 114754.000000 53481.0000000 44240.0000000 51185.0000000 70882.0000000 4174.00000000 3832.00000000 4197.00000000 5518.00000000 39993712.0000 39993712.0000 39993712.0000 39993712.0000 1.01380800000 1.01152500000 1.01539700000 1.01876400000 + 5724.99113300 0.87233638967 17943.5112780 7923566.00000 24999370.0000 46867.0000000 373.000000000 84038.0000000 71881.0000000 83245.0000000 115263.000000 53674.0000000 44192.0000000 51144.0000000 71391.0000000 4229.00000000 3742.00000000 4236.00000000 5466.00000000 39994231.0000 39994231.0000 39994231.0000 39994231.0000 1.01394400000 1.01154100000 1.01541800000 1.01885200000 + 5728.78067400 0.87965383348 17824.7303020 7808539.00000 24999430.0000 46935.0000000 373.000000000 82246.0000000 70895.0000000 81504.0000000 113564.000000 52226.0000000 43609.0000000 49970.0000000 70141.0000000 4164.00000000 3819.00000000 4124.00000000 5454.00000000 39994327.0000 39994327.0000 39994327.0000 39994327.0000 1.01364200000 1.01137800000 1.01509100000 1.01856200000 + 5732.59633900 0.87404295117 17378.9868210 7658882.00000 24999406.0000 46905.0000000 373.000000000 80989.0000000 69752.0000000 79893.0000000 110602.000000 51935.0000000 43016.0000000 49094.0000000 68391.0000000 4034.00000000 3628.00000000 4208.00000000 5257.00000000 39994288.0000 39994288.0000 39994288.0000 39994288.0000 1.01342400000 1.01119100000 1.01478700000 1.01807300000 diff --git a/conversion_examples/MultiElementFluor/V_XANES_ap5.001 b/conversion_examples/MultiElementFluor/V_XANES_ap5.001 new file mode 100755 index 0000000..4e1b04c --- /dev/null +++ b/conversion_examples/MultiElementFluor/V_XANES_ap5.001 @@ -0,0 +1,448 @@ +#XDI/1.1 Epics StepScan File / 2.0 +# Scan.start_time: 2018-11-27 07:14:46 +# Legend.Start: Column.N: Name units || EpicsPV +# Column.1: Energy eV || 13IDE:En:Energy.VAL +# Column.2: TSCALER counts || 13IDE:SIS1:mca1 +# Column.3: I0 counts || 13IDE:SIS1:mca2 +# Column.4: I1 counts || 13IDE:SIS1:mca3 +# Column.5: I2 counts || 13IDE:SIS1:mca4 +# Column.6: OutputCounts_mca1 counts || 13QX4:MCA1ROI:1:TSTotal +# Column.7: OutputCounts_mca2 counts || 13QX4:MCA2ROI:1:TSTotal +# Column.8: OutputCounts_mca3 counts || 13QX4:MCA3ROI:1:TSTotal +# Column.9: OutputCounts_mca4 counts || 13QX4:MCA4ROI:1:TSTotal +# Column.10: Ca_Ka_mca1 counts || 13QX4:MCA1ROI:7:TSTotal +# Column.11: Ca_Ka_mca2 counts || 13QX4:MCA2ROI:7:TSTotal +# Column.12: Ca_Ka_mca3 counts || 13QX4:MCA3ROI:7:TSTotal +# Column.13: Ca_Ka_mca4 counts || 13QX4:MCA4ROI:7:TSTotal +# Column.14: V_Ka_mca1 counts || 13QX4:MCA1ROI:10:TSTotal +# Column.15: V_Ka_mca2 counts || 13QX4:MCA2ROI:10:TSTotal +# Column.16: V_Ka_mca3 counts || 13QX4:MCA3ROI:10:TSTotal +# Column.17: V_Ka_mca4 counts || 13QX4:MCA4ROI:10:TSTotal +# Column.18: Clock_mca1 counts || 13QX4:C1SCA0:TSArrayValue +# Column.19: Clock_mca2 counts || 13QX4:C2SCA0:TSArrayValue +# Column.20: Clock_mca3 counts || 13QX4:C3SCA0:TSArrayValue +# Column.21: Clock_mca4 counts || 13QX4:C4SCA0:TSArrayValue +# Column.22: DTFactor_mca1 counts || 13QX4:C1SCA8:TSArrayValue +# Column.23: DTFactor_mca2 counts || 13QX4:C2SCA8:TSArrayValue +# Column.24: DTFactor_mca3 counts || 13QX4:C3SCA8:TSArrayValue +# Column.25: DTFactor_mca4 counts || 13QX4:C4SCA8:TSArrayValue +# Legend.End: here +# Scan.end_time: 2018-11-27 07:17:52 +# ExtraPVs.Start: Family.Member: Value | PV +# Beamline.FOE_Slit_HPos: 0.0250 || 13IDA:m5.VAL +# Beamline.FOE_Slit_HWid: 0.8000 || 13IDA:m6.VAL +# Beamline.FOE_Slit_VPos: -0.1250 || 13IDA:m7.VAL +# Beamline.FOE_Slit_VWid: 0.2500 || 13IDA:m8.VAL +# Beamline.FluxEstimate: 2.626e+12 || 13XRM:ION:FluxOut.VAL +# Beamline.I0_Sensitivity_Number: 100 || 13IDE:A1sens_num.VAL +# Beamline.I0_Sensitivity_Unit: nA/V || 13IDE:A1sens_unit.VAL +# Beamline.I1_Sensitivity_Number: 200 || 13IDE:A2sens_num.VAL +# Beamline.I1_Sensitivity_Unit: nA/V || 13IDE:A2sens_unit.VAL +# Beamline.I2_Sensitivity_Number: 20 || 13IDE:A3sens_num.VAL +# Beamline.I2_Sensitivity_Unit: nA/V || 13IDE:A3sens_unit.VAL +# Beamline.SSA_Slit_HPos: 0 || 13IDA:m69.VAL +# Beamline.SSA_Slit_HWid: 0.0500 || 13IDA:m70.VAL +# Beamline.SSA_Slit_VPos: 0.7500 || 13IDA:m71.VAL +# Beamline.SSA_Slit_VWid: 0.3000 || 13IDA:m72.VAL +# DetectorStage.X: 15380.0 || 13IDE:m34.VAL +# DetectorStage.Y: 291.740 || 13IDE:m4.VAL +# DetectorStage.Z: 125.0000 || 13IDE:m19.VAL +# Facility.Ring_Current: 86.9 || S:SRcurrentAI.VAL +# Facility.Ring_Lifetime: 75.6 || S:SRlifeTimeHrsCC.VAL +# Mono.dspacing: 3.13477 || 13IDE:En:dspace.VAL +# Mono.height: 24.90000 || 13IDE:En:height.VAL +# Mono.theta_offset: 17.54913 || 13IDA:m65.OFF +# Mono.xtal2_pitch: -0.1160 || 13IDA:m67.VAL +# Mono.xtal2_rol: 1.0400 || 13IDA:m68.VAL +# Mono.xtal2_y: 13.3075 || 13IDA:m66.VAL +# Mono.xtal2_y_off: 11.6000 || 13IDA:m66.OFF +# SampleStage.CoarseX: 130.7285 || 13XRM:m4.VAL +# SampleStage.CoarseY: 89.3002 || 13XRM:m5.VAL +# SampleStage.CoarseZ: 211.0609 || 13XRM:m6.VAL +# SampleStage.FineX: 0.55201 || 13XRM:m1.VAL +# SampleStage.FineY: 0.35200 || 13XRM:m2.VAL +# SampleStage.Theta: 0 || 13XRM:m3.VAL +# Undulator.Energy: 5.771 || ID13us:Energy.VAL +# Mono.Energy: 5599.50000 || 13IDE:En:Energy.VAL +# ExtraPVs.End: here +# ScanParameters.Start: Scan.Member: Value +# ScanParameters.ScanType: xafs +# ScanParameters.element: V +# ScanParameters.edge: K +# ScanParameters.E0: 5465.000 +# ScanParameters.Legend: Start, Stop, Step, K-space, Time +# ScanParameters.Region1: -100.000, -10.000, 2.500 False 0.50 +# ScanParameters.Region2: -10.000, 25.008, 0.150 False 0.50 +# ScanParameters.Region3: 2.562, 8.500, 0.060 True 0.50 +# ScanParameters.End: here +# /// Users Comments /// +# +# ------------------------ +# Energy TSCALER I0 I1 I2 OutputCounts_mca1 OutputCounts_mca2 OutputCounts_mca3 OutputCounts_mca4 Ca_Ka_mca1 Ca_Ka_mca2 Ca_Ka_mca3 Ca_Ka_mca4 V_Ka_mca1 V_Ka_mca2 V_Ka_mca3 V_Ka_mca4 Clock_mca1 Clock_mca2 Clock_mca3 Clock_mca4 DTFactor_mca1 DTFactor_mca2 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5372.517429 24999430.000000 11352088.000000 46363.000000 373.000000 113195.000000 99005.000000 116184.000000 158212.000000 77749.000000 65636.000000 76286.000000 105099.000000 108.000000 450.000000 301.000000 389.000000 39994327.000000 39994327.000000 39994327.000000 39994327.000000 1.019009 1.015931 1.021611 1.025997 + 5375.018034 24999400.000000 11324177.000000 46330.000000 373.000000 114265.000000 98603.000000 115227.000000 158682.000000 78856.000000 65204.000000 75536.000000 105042.000000 99.000000 395.000000 338.000000 366.000000 39994278.000000 39994278.000000 39994278.000000 39994278.000000 1.019029 1.015871 1.021434 1.026079 + 5377.519340 24999483.000000 11342578.000000 46322.000000 373.000000 114371.000000 98694.000000 115531.000000 158935.000000 79037.000000 65102.000000 76067.000000 105358.000000 87.000000 437.000000 338.000000 350.000000 39994411.000000 39994411.000000 39994411.000000 39994411.000000 1.018996 1.015890 1.021495 1.026128 + 5380.017722 24999286.000000 11465611.000000 46325.000000 373.000000 114090.000000 100238.000000 116709.000000 159583.000000 78815.000000 66327.000000 76805.000000 106136.000000 119.000000 413.000000 316.000000 357.000000 39994097.000000 39994097.000000 39994097.000000 39994097.000000 1.019179 1.016134 1.021713 1.026233 + 5382.517701 24999448.000000 11424969.000000 46364.000000 373.000000 115247.000000 100194.000000 117053.000000 160194.000000 79297.000000 66304.000000 76846.000000 106302.000000 112.000000 420.000000 327.000000 386.000000 39994356.000000 39994356.000000 39994356.000000 39994356.000000 1.019200 1.016125 1.021776 1.026330 + 5385.018371 24999352.000000 11466087.000000 46285.000000 374.000000 115393.000000 100520.000000 117113.000000 160597.000000 79577.000000 66386.000000 76697.000000 106503.000000 116.000000 448.000000 299.000000 394.000000 39994202.000000 39994202.000000 39994202.000000 39994202.000000 1.019297 1.016184 1.021793 1.026407 + 5387.520638 24999532.000000 11586589.000000 46320.000000 373.000000 115926.000000 101152.000000 117858.000000 162143.000000 79797.000000 66722.000000 77367.000000 107034.000000 115.000000 438.000000 324.000000 374.000000 39994490.000000 39994490.000000 39994490.000000 39994490.000000 1.019527 1.016286 1.021933 1.026664 + 5390.022683 24999388.000000 11618438.000000 46273.000000 373.000000 117320.000000 101319.000000 118710.000000 162253.000000 80600.000000 66553.000000 77855.000000 107376.000000 129.000000 427.000000 341.000000 413.000000 39994260.000000 39994260.000000 39994260.000000 39994260.000000 1.019538 1.016313 1.022093 1.026682 + 5392.522683 24999292.000000 11666224.000000 46346.000000 373.000000 117384.000000 101610.000000 119747.000000 163508.000000 80969.000000 66815.000000 78573.000000 108442.000000 107.000000 473.000000 341.000000 375.000000 39994106.000000 39994106.000000 39994106.000000 39994106.000000 1.019598 1.016361 1.022288 1.026888 + 5395.021536 24999429.000000 11603612.000000 46360.000000 373.000000 117711.000000 101924.000000 118519.000000 162626.000000 81160.000000 66933.000000 77938.000000 107565.000000 97.000000 455.000000 306.000000 393.000000 39994325.000000 39994325.000000 39994325.000000 39994325.000000 1.019522 1.016409 1.022058 1.026748 + 5397.521063 24999418.000000 11607413.000000 46376.000000 374.000000 117270.000000 101247.000000 119136.000000 162707.000000 80597.000000 67109.000000 78016.000000 107473.000000 114.000000 426.000000 349.000000 408.000000 39994308.000000 39994308.000000 39994308.000000 39994308.000000 1.019634 1.016306 1.022178 1.026766 + 5400.019433 25000048.000000 11677945.000000 46343.000000 373.000000 117920.000000 102206.000000 119632.000000 163236.000000 80953.000000 67326.000000 78267.000000 108287.000000 111.000000 437.000000 348.000000 387.000000 39995316.000000 39995316.000000 39995316.000000 39995316.000000 1.019718 1.016454 1.022267 1.026845 + 5402.520296 24998722.000000 11545657.000000 46259.000000 373.000000 118493.000000 100821.000000 118293.000000 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67959.000000 94163.000000 5463.000000 4894.000000 5559.000000 7197.000000 39993712.000000 39993712.000000 39993712.000000 39993712.000000 1.018619 1.015527 1.020725 1.025225 + 5661.477489 24999550.000000 10290369.000000 46802.000000 373.000000 111720.000000 96117.000000 111663.000000 152735.000000 71165.000000 58828.000000 67890.000000 93780.000000 5487.000000 4898.000000 5702.000000 7033.000000 39994518.000000 39994518.000000 39994518.000000 39994518.000000 1.018482 1.015484 1.020780 1.025131 + 5664.771834 24999334.000000 10295482.000000 46822.000000 373.000000 110906.000000 95962.000000 112284.000000 153568.000000 70731.000000 58600.000000 68373.000000 94426.000000 5344.000000 4821.000000 5656.000000 7040.000000 39994174.000000 39994174.000000 39994174.000000 39994174.000000 1.018591 1.015462 1.020898 1.025269 + 5668.096630 24999616.000000 10225675.000000 46901.000000 372.000000 111553.000000 95634.000000 111249.000000 152161.000000 71405.000000 58306.000000 67596.000000 93623.000000 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39994451.000000 39994451.000000 39994451.000000 39994451.000000 1.017936 1.015018 1.020115 1.024374 + 5692.124544 24999298.000000 10023461.000000 46826.000000 373.000000 107712.000000 93149.000000 107921.000000 149099.000000 68968.000000 57191.000000 65804.000000 91381.000000 5095.000000 4691.000000 5394.000000 6815.000000 39994115.000000 39994115.000000 39994115.000000 39994115.000000 1.017898 1.014995 1.020068 1.024500 + 5695.666022 24999760.000000 10041242.000000 46860.000000 372.000000 107493.000000 92608.000000 107924.000000 147662.000000 68591.000000 56597.000000 65624.000000 90476.000000 5289.000000 4709.000000 5361.000000 6873.000000 39994855.000000 39994855.000000 39994855.000000 39994855.000000 1.017885 1.014913 1.020071 1.024277 + 5699.234768 24999088.000000 9843693.000000 46920.000000 373.000000 107380.000000 91583.000000 105464.000000 144896.000000 68463.000000 56125.000000 64305.000000 89184.000000 5328.000000 4743.000000 5345.000000 6625.000000 39993780.000000 39993780.000000 39993780.000000 39993780.000000 1.017560 1.014738 1.019603 1.023804 + 5702.832936 24999501.000000 9900297.000000 46899.000000 372.000000 105523.000000 91476.000000 106347.000000 145376.000000 67444.000000 56180.000000 64863.000000 89460.000000 5233.000000 4713.000000 5357.000000 6717.000000 39994441.000000 39994441.000000 39994441.000000 39994441.000000 1.017604 1.014729 1.019775 1.023896 + 5706.458579 24999256.000000 9947942.000000 46871.000000 373.000000 105697.000000 92430.000000 106912.000000 146829.000000 67388.000000 56629.000000 65073.000000 90345.000000 5230.000000 4697.000000 5276.000000 6712.000000 39994049.000000 39994049.000000 39994049.000000 39994049.000000 1.017753 1.014877 1.019876 1.024128 + 5710.110770 24999454.000000 9947965.000000 46955.000000 372.000000 106659.000000 91967.000000 106489.000000 145795.000000 68133.000000 56231.000000 64623.000000 89905.000000 5263.000000 4703.000000 5287.000000 6797.000000 39994366.000000 39994366.000000 39994366.000000 39994366.000000 1.017737 1.014807 1.019801 1.023968 + 5713.788576 24999394.000000 9941619.000000 46883.000000 372.000000 106522.000000 92205.000000 106338.000000 145709.000000 67881.000000 56613.000000 64804.000000 89301.000000 5132.000000 4610.000000 5373.000000 6716.000000 39994270.000000 39994270.000000 39994270.000000 39994270.000000 1.017743 1.014845 1.019773 1.023954 + 5717.493124 24999483.000000 9840923.000000 46880.000000 373.000000 106554.000000 90957.000000 105122.000000 144113.000000 68094.000000 55774.000000 64019.000000 88346.000000 5301.000000 4706.000000 5286.000000 6636.000000 39994412.000000 39994412.000000 39994412.000000 39994412.000000 1.017453 1.014638 1.019538 1.023675 + 5721.228651 24999346.000000 9741049.000000 46853.000000 372.000000 104873.000000 88835.000000 102938.000000 142115.000000 66955.000000 54298.000000 62774.000000 87628.000000 5097.000000 4679.000000 5188.000000 6595.000000 39994192.000000 39994192.000000 39994192.000000 39994192.000000 1.017092 1.014297 1.019129 1.023340 + 5724.990098 24999430.000000 9828599.000000 46926.000000 372.000000 102680.000000 90174.000000 104980.000000 144102.000000 65873.000000 55243.000000 63809.000000 88109.000000 5036.000000 4603.000000 5307.000000 6754.000000 39994328.000000 39994328.000000 39994328.000000 39994328.000000 1.017381 1.014512 1.019510 1.023666 + 5728.778601 24999334.000000 9661896.000000 46968.000000 373.000000 104447.000000 88071.000000 102420.000000 140586.000000 66666.000000 54209.000000 62369.000000 86235.000000 5134.000000 4582.000000 5202.000000 6562.000000 39994173.000000 39994173.000000 39994173.000000 39994173.000000 1.016952 1.014172 1.019029 1.023084 + 5732.597377 24999592.000000 9563265.000000 46834.000000 372.000000 101864.000000 87732.000000 100920.000000 138642.000000 64871.000000 53662.000000 61771.000000 85433.000000 5051.000000 4647.000000 5078.000000 6395.000000 39994587.000000 39994587.000000 39994587.000000 39994587.000000 1.016910 1.014115 1.018748 1.022766 diff --git a/conversion_examples/MultiElementFluor/V_XANES_ap5_new.001 b/conversion_examples/MultiElementFluor/V_XANES_ap5_new.001 new file mode 100644 index 0000000..5bbe05f --- /dev/null +++ b/conversion_examples/MultiElementFluor/V_XANES_ap5_new.001 @@ -0,0 +1,460 @@ +# XDI/1.1 +# Column.1: energy eV +# Column.2: norm +# Column.3: ifluor +# Column.4: i0 +# Column.5: tscaler +# Column.6: i1 +# Column.7: i2 +# Column.8: outputcounts_mca1 +# Column.9: outputcounts_mca2 +# Column.10: outputcounts_mca3 +# Column.11: outputcounts_mca4 +# Column.12: ca_ka_mca1 +# Column.13: ca_ka_mca2 +# Column.14: ca_ka_mca3 +# Column.15: ca_ka_mca4 +# Column.16: v_ka_mca1 +# Column.17: v_ka_mca2 +# Column.18: v_ka_mca3 +# Column.19: v_ka_mca4 +# Column.20: clock_mca1 +# Column.21: clock_mca2 +# Column.22: clock_mca3 +# Column.23: clock_mca4 +# Column.24: dtfactor_mca1 +# Column.25: dtfactor_mca2 +# Column.26: dtfactor_mca3 +# Column.27: dtfactor_mca4 +# Legend.End: here +# Scan.end_time: 2018-11-27 07:17:52 +# ExtraPVs.Start: Family.Member: Value | PV +# Beamline.FOE_Slit_HPos: 0.0250 || 13IDA:m5.VAL +# Beamline.FOE_Slit_HWid: 0.8000 || 13IDA:m6.VAL +# Beamline.FOE_Slit_VPos: -0.1250 || 13IDA:m7.VAL +# Beamline.FOE_Slit_VWid: 0.2500 || 13IDA:m8.VAL +# Beamline.FluxEstimate: 2.626e+12 || 13XRM:ION:FluxOut.VAL +# Beamline.I0_Sensitivity_Number: 100 || 13IDE:A1sens_num.VAL +# Beamline.I0_Sensitivity_Unit: nA/V || 13IDE:A1sens_unit.VAL +# Beamline.I1_Sensitivity_Number: 200 || 13IDE:A2sens_num.VAL +# Beamline.I1_Sensitivity_Unit: nA/V || 13IDE:A2sens_unit.VAL +# Beamline.I2_Sensitivity_Number: 20 || 13IDE:A3sens_num.VAL +# Beamline.I2_Sensitivity_Unit: nA/V || 13IDE:A3sens_unit.VAL +# Beamline.SSA_Slit_HPos: 0 || 13IDA:m69.VAL +# Beamline.SSA_Slit_HWid: 0.0500 || 13IDA:m70.VAL +# Beamline.SSA_Slit_VPos: 0.7500 || 13IDA:m71.VAL +# Beamline.SSA_Slit_VWid: 0.3000 || 13IDA:m72.VAL +# DetectorStage.X: 15380.0 || 13IDE:m34.VAL +# DetectorStage.Y: 291.740 || 13IDE:m4.VAL +# DetectorStage.Z: 125.0000 || 13IDE:m19.VAL +# Facility.Ring_Current: 86.9 || S:SRcurrentAI.VAL +# Facility.Ring_Lifetime: 75.6 || S:SRlifeTimeHrsCC.VAL +# Monochromator.d_spacing: 3.13477 || 13IDE:En:dspace.VAL +# Monochromator.height: 24.90000 || 13IDE:En:height.VAL +# Monochromator.theta_offset: 17.54913 || 13IDA:m65.OFF +# Monochromator.xtal2_pitch: -0.1160 || 13IDA:m67.VAL +# Monochromator.xtal2_rol: 1.0400 || 13IDA:m68.VAL +# Monochromator.xtal2_y: 13.3075 || 13IDA:m66.VAL +# Monochromator.xtal2_y_off: 11.6000 || 13IDA:m66.OFF +# SampleStage.CoarseX: 130.7285 || 13XRM:m4.VAL +# SampleStage.CoarseY: 89.3002 || 13XRM:m5.VAL +# SampleStage.CoarseZ: 211.0609 || 13XRM:m6.VAL +# SampleStage.FineX: 0.55201 || 13XRM:m1.VAL +# SampleStage.FineY: 0.35200 || 13XRM:m2.VAL +# SampleStage.Theta: 0 || 13XRM:m3.VAL +# Undulator.Energy: 5.771 || ID13us:Energy.VAL +# Monochromator.Energy: 5599.50000 || 13IDE:En:Energy.VAL +# ExtraPVs.End: here +# ScanParameters.Start: Scan.Member: Value +# ScanParameters.ScanType: xafs +# ScanParameters.element: V +# ScanParameters.edge: K +# ScanParameters.E0: 5465.000 +# ScanParameters.Legend: Start, Stop, Step, K-space, Time +# ScanParameters.Region1: -100.000, -10.000, 2.500 False 0.50 +# ScanParameters.Region2: -10.000, 25.008, 0.150 False 0.50 +# ScanParameters.Region3: 2.562, 8.500, 0.060 True 0.50 +# ScanParameters.End: here +# Process.program: xraylarch +# Process.version: 0.9.80 +# Process.command: pre_edge(data, nvict=0, pre1=-150, pre2=-50, norm1=150, norm2=750, make_flat=True) +# Process.step1: using col1..col27 for 27 from arrays in rawdata +# Process.step2: energy = col1 # column 1: energy (eV) +# Process.step3: i0 = col4 # column 4: incident beam intensity +# Process.step4: # fluorescence: sum 4 channels, with deadtime corection from columns in the data +# Process.step5: ifluor = col16*col24+col17*col25+col18*col26+col19*col27 +# Process.step6: mu = iflour/i0 +# Process.step7: edge_step = 0.002427516 +# Process.step8: pre_edge = -1.500207e-4 + 4.868832e-8*energy +# Process.step9: intensity = norm = (mu - pre_edge) /edge_step +# /// Users Comments /// +# +#--------------------------------- +# energy norm ifluor i0 tscaler i1 i2 outputcounts_mca1 outputcounts_mca2 outputcounts_mca3 outputcounts_mca4 ca_ka_mca1 ca_ka_mca2 ca_ka_mca3 ca_ka_mca4 v_ka_mca1 v_ka_mca2 v_ka_mca3 v_ka_mca4 clock_mca1 clock_mca2 clock_mca3 clock_mca4 dtfactor_mca1 dtfactor_mca2 dtfactor_mca3 dtfactor_mca4 + 5365.01803700 0.00447887807 1386.89636600 11361893.0000 24999405.0000 46353.0000000 373.000000000 307711.000000 98549.0000000 116163.000000 159003.000000 212154.000000 65354.0000000 76361.0000000 105267.000000 303.000000000 399.000000000 310.000000000 347.000000000 39994287.0000 39994287.0000 39994287.0000 39994287.0000 1.01912500000 1.01586600000 1.02161300000 1.02614100000 + 5367.51292000 0.00112582175 1281.98493200 11240800.0000 24999538.0000 46314.0000000 373.000000000 114905.000000 98303.0000000 114876.000000 156968.000000 79134.0000000 64977.0000000 75479.0000000 104193.000000 105.000000000 417.000000000 345.000000000 389.000000000 39994500.0000 39994500.0000 39994500.0000 39994500.0000 1.01886200000 1.01582200000 1.02136700000 1.02579700000 + 5370.01662400 -0.00220389009 1189.56884800 11213202.0000 24999340.0000 46358.0000000 373.000000000 113343.000000 97711.0000000 114413.000000 155907.000000 78008.0000000 64540.0000000 75429.0000000 103539.000000 101.000000000 436.000000000 301.000000000 328.000000000 39994184.0000 39994184.0000 39994184.0000 39994184.0000 1.01883200000 1.01572600000 1.02128000000 1.02562500000 + 5372.51742900 0.00026930160 1273.83966600 11352088.0000 24999430.0000 46363.0000000 373.000000000 113195.000000 99005.0000000 116184.000000 158212.000000 77749.0000000 65636.0000000 76286.0000000 105099.000000 108.000000000 450.000000000 301.000000000 389.000000000 39994327.0000 39994327.0000 39994327.0000 39994327.0000 1.01900900000 1.01593100000 1.02161100000 1.02599700000 + 5375.01803400 -0.00151842489 1222.94252200 11324177.0000 24999400.0000 46330.0000000 373.000000000 114265.000000 98603.0000000 115227.000000 158682.000000 78856.0000000 65204.0000000 75536.0000000 105042.000000 99.0000000000 395.000000000 338.000000000 366.000000000 39994278.0000 39994278.0000 39994278.0000 39994278.0000 1.01902900000 1.01587100000 1.02143400000 1.02607900000 + 5377.51934000 -0.00112997740 1237.00669200 11342578.0000 24999483.0000 46322.0000000 373.000000000 114371.000000 98694.0000000 115531.000000 158935.000000 79037.0000000 65102.0000000 76067.0000000 105358.000000 87.0000000000 437.000000000 338.000000000 350.000000000 39994411.0000 39994411.0000 39994411.0000 39994411.0000 1.01899600000 1.01589000000 1.02149500000 1.02612800000 + 5380.01772200 -0.00190772741 1230.17213200 11465611.0000 24999286.0000 46325.0000000 373.000000000 114090.000000 100238.000000 116709.000000 159583.000000 78815.0000000 66327.0000000 76805.0000000 106136.000000 119.000000000 413.000000000 316.000000000 357.000000000 39994097.0000 39994097.0000 39994097.0000 39994097.0000 1.01917900000 1.01613400000 1.02171300000 1.02623300000 + 5382.51770100 -0.00032106963 1271.20703200 11424969.0000 24999448.0000 46364.0000000 373.000000000 115247.000000 100194.000000 117053.000000 160194.000000 79297.0000000 66304.0000000 76846.0000000 106302.000000 112.000000000 420.000000000 327.000000000 386.000000000 39994356.0000 39994356.0000 39994356.0000 39994356.0000 1.01920000000 1.01612500000 1.02177600000 1.02633000000 + 5385.01837100 -0.00009719828 1283.40934900 11466087.0000 24999352.0000 46285.0000000 374.000000000 115393.000000 100520.000000 117113.000000 160597.000000 79577.0000000 66386.0000000 76697.0000000 106503.000000 116.000000000 448.000000000 299.000000000 394.000000000 39994202.0000 39994202.0000 39994202.0000 39994202.0000 1.01929700000 1.01618400000 1.02179300000 1.02640700000 + 5387.52063800 -0.00083853680 1277.45750100 11586589.0000 24999532.0000 46320.0000000 373.000000000 115926.000000 101152.000000 117858.000000 162143.000000 79797.0000000 66722.0000000 77367.0000000 107034.000000 115.000000000 438.000000000 324.000000000 374.000000000 39994490.0000 39994490.0000 39994490.0000 39994490.0000 1.01952700000 1.01628600000 1.02193300000 1.02666400000 + 5390.02268300 0.00113477313 1338.03943200 11618438.0000 24999388.0000 46273.0000000 373.000000000 117320.000000 101319.000000 118710.000000 162253.000000 80600.0000000 66553.0000000 77855.0000000 107376.000000 129.000000000 427.000000000 341.000000000 413.000000000 39994260.0000 39994260.0000 39994260.0000 39994260.0000 1.01953800000 1.01631300000 1.02209300000 1.02668200000 + 5392.52268300 0.00037757561 1323.51894700 11666224.0000 24999292.0000 46346.0000000 373.000000000 117384.000000 101610.000000 119747.000000 163508.000000 80969.0000000 66815.0000000 78573.0000000 108442.000000 107.000000000 473.000000000 341.000000000 375.000000000 39994106.0000 39994106.0000 39994106.0000 39994106.0000 1.01959800000 1.01636100000 1.02228800000 1.02688800000 + 5395.02153600 -0.00104979139 1277.62144100 11603612.0000 24999429.0000 46360.0000000 373.000000000 117711.000000 101924.000000 118519.000000 162626.000000 81160.0000000 66933.0000000 77938.0000000 107565.000000 97.0000000000 455.000000000 306.000000000 393.000000000 39994325.0000 39994325.0000 39994325.0000 39994325.0000 1.01952200000 1.01640900000 1.02205800000 1.02674800000 + 5397.52106300 0.00056118377 1324.84528200 11607413.0000 24999418.0000 46376.0000000 374.000000000 117270.000000 101247.000000 119136.000000 162707.000000 80597.0000000 67109.0000000 78016.0000000 107473.000000 114.000000000 426.000000000 349.000000000 408.000000000 39994308.0000 39994308.0000 39994308.0000 39994308.0000 1.01963400000 1.01630600000 1.02217800000 1.02676600000 + 5400.01943300 -0.00027833989 1310.51702700 11677945.0000 25000048.0000 46343.0000000 373.000000000 117920.000000 102206.000000 119632.000000 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372.000000000 111553.000000 95634.0000000 111249.000000 152161.000000 71405.0000000 58306.0000000 67596.0000000 93623.0000000 5509.00000000 5119.00000000 5583.00000000 7035.00000000 39994625.0000 39994625.0000 39994625.0000 39994625.0000 1.01839400000 1.01540200000 1.02069900000 1.02502500000 + 5671.44690900 0.89477898293 23100.2987990 10051463.0000 24999225.0000 46797.0000000 373.000000000 110420.000000 94478.0000000 109163.000000 149327.000000 70054.0000000 57936.0000000 66864.0000000 91879.0000000 5357.00000000 4993.00000000 5369.00000000 6929.00000000 39993999.0000 39993999.0000 39993999.0000 39993999.0000 1.01811900000 1.01521700000 1.02030900000 1.02456600000 + 5674.82479100 0.89942963565 22901.6359570 9915602.00000 24999418.0000 46788.0000000 373.000000000 108747.000000 92304.0000000 107084.000000 147316.000000 69223.0000000 56527.0000000 64818.0000000 90560.0000000 5384.00000000 4862.00000000 5496.00000000 6719.00000000 39994308.0000 39994308.0000 39994308.0000 39994308.0000 1.01788300000 1.01486000000 1.01991100000 1.02421100000 + 5678.23037500 0.89812912553 23127.5157590 10026385.0000 24999460.0000 46834.0000000 372.000000000 107426.000000 93723.0000000 108835.000000 149121.000000 68575.0000000 57214.0000000 66013.0000000 91668.0000000 5323.00000000 4909.00000000 5474.00000000 6970.00000000 39994375.0000 39994375.0000 39994375.0000 39994375.0000 1.01797600000 1.01509300000 1.02024600000 1.02452100000 + 5681.66172200 0.89698994346 22784.6179490 9888869.00000 24999652.0000 46812.0000000 373.000000000 107899.000000 92262.0000000 107449.000000 146411.000000 68538.0000000 56480.0000000 65578.0000000 90037.0000000 5476.00000000 4812.00000000 5375.00000000 6685.00000000 39994683.0000 39994683.0000 39994683.0000 39994683.0000 1.01770200000 1.01485100000 1.01997600000 1.02406100000 + 5685.12198100 0.90391672354 22870.5752060 9853545.00000 24999081.0000 46863.0000000 372.000000000 106322.000000 91576.0000000 106519.000000 146229.000000 67879.0000000 56205.0000000 64737.0000000 89589.0000000 5325.00000000 4711.00000000 5479.00000000 6917.00000000 39993768.0000 39993768.0000 39993768.0000 39993768.0000 1.01772100000 1.01474400000 1.01980700000 1.02403200000 + 5688.60921600 0.88554967739 22827.4672120 10026850.0000 24999508.0000 46819.0000000 372.000000000 106429.000000 93272.0000000 108157.000000 148266.000000 68084.0000000 57125.0000000 65924.0000000 91195.0000000 5281.00000000 4791.00000000 5470.00000000 6842.00000000 39994451.0000 39994451.0000 39994451.0000 39994451.0000 1.01793600000 1.01501800000 1.02011500000 1.02437400000 + 5692.12454400 0.86953293526 22431.7461470 10023461.0000 24999298.0000 46826.0000000 373.000000000 107712.000000 93149.0000000 107921.000000 149099.000000 68968.0000000 57191.0000000 65804.0000000 91381.0000000 5095.00000000 4691.00000000 5394.00000000 6815.00000000 39994115.0000 39994115.0000 39994115.0000 39994115.0000 1.01789800000 1.01499500000 1.02006800000 1.02450000000 + 5695.66602200 0.87765614513 22671.2755340 10041242.0000 24999760.0000 46860.0000000 372.000000000 107493.000000 92608.0000000 107924.000000 147662.000000 68591.0000000 56597.0000000 65624.0000000 90476.0000000 5289.00000000 4709.00000000 5361.00000000 6873.00000000 39994855.0000 39994855.0000 39994855.0000 39994855.0000 1.01788500000 1.01491300000 1.02007100000 1.02427700000 + 5699.23476800 0.88769915205 22466.9415490 9843693.00000 24999088.0000 46920.0000000 373.000000000 107380.000000 91583.0000000 105464.000000 144896.000000 68463.0000000 56125.0000000 64305.0000000 89184.0000000 5328.00000000 4743.00000000 5345.00000000 6625.00000000 39993780.0000 39993780.0000 39993780.0000 39993780.0000 1.01756000000 1.01473800000 1.01960300000 1.02380400000 + 5702.83293600 0.88146261114 22447.9836160 9900297.00000 24999501.0000 46899.0000000 372.000000000 105523.000000 91476.0000000 106347.000000 145376.000000 67444.0000000 56180.0000000 64863.0000000 89460.0000000 5233.00000000 4713.00000000 5357.00000000 6717.00000000 39994441.0000 39994441.0000 39994441.0000 39994441.0000 1.01760400000 1.01472900000 1.01977500000 1.02389600000 + 5706.45857900 0.87263269166 22344.5383710 9947942.00000 24999256.0000 46871.0000000 373.000000000 105697.000000 92430.0000000 106912.000000 146829.000000 67388.0000000 56629.0000000 65073.0000000 90345.0000000 5230.00000000 4697.00000000 5276.00000000 6712.00000000 39994049.0000 39994049.0000 39994049.0000 39994049.0000 1.01775300000 1.01487700000 1.01987600000 1.02412800000 + 5710.11077000 0.87819099407 22480.5855350 9947965.00000 24999454.0000 46955.0000000 372.000000000 106659.000000 91967.0000000 106489.000000 145795.000000 68133.0000000 56231.0000000 64623.0000000 89905.0000000 5263.00000000 4703.00000000 5287.00000000 6797.00000000 39994366.0000 39994366.0000 39994366.0000 39994366.0000 1.01773700000 1.01480700000 1.01980100000 1.02396800000 + 5713.78857600 0.86947209403 22257.6079190 9941619.00000 24999394.0000 46883.0000000 372.000000000 106522.000000 92205.0000000 106338.000000 145709.000000 67881.0000000 56613.0000000 64804.0000000 89301.0000000 5132.00000000 4610.00000000 5373.00000000 6716.00000000 39994270.0000 39994270.0000 39994270.0000 39994270.0000 1.01774300000 1.01484500000 1.01977300000 1.02395400000 + 5717.49312400 0.88273545613 22350.7899490 9840923.00000 24999483.0000 46880.0000000 373.000000000 106554.000000 90957.0000000 105122.000000 144113.000000 68094.0000000 55774.0000000 64019.0000000 88346.0000000 5301.00000000 4706.00000000 5286.00000000 6636.00000000 39994412.0000 39994412.0000 39994412.0000 39994412.0000 1.01745300000 1.01463800000 1.01953800000 1.02367500000 + 5721.22865100 0.87598839233 21966.1821390 9741049.00000 24999346.0000 46853.0000000 372.000000000 104873.000000 88835.0000000 102938.000000 142115.000000 66955.0000000 54298.0000000 62774.0000000 87628.0000000 5097.00000000 4679.00000000 5188.00000000 6595.00000000 39994192.0000 39994192.0000 39994192.0000 39994192.0000 1.01709200000 1.01429700000 1.01912900000 1.02334000000 + 5724.99009800 0.87398918495 22117.7091860 9828599.00000 24999430.0000 46926.0000000 372.000000000 102680.000000 90174.0000000 104980.000000 144102.000000 65873.0000000 55243.0000000 63809.0000000 88109.0000000 5036.00000000 4603.00000000 5307.00000000 6754.00000000 39994328.0000 39994328.0000 39994328.0000 39994328.0000 1.01738100000 1.01451200000 1.01951000000 1.02366600000 + 5728.77860100 0.87987639990 21882.4337380 9661896.00000 24999334.0000 46968.0000000 373.000000000 104447.000000 88071.0000000 102420.000000 140586.000000 66666.0000000 54209.0000000 62369.0000000 86235.0000000 5134.00000000 4582.00000000 5202.00000000 6562.00000000 39994173.0000 39994173.0000 39994173.0000 39994173.0000 1.01695200000 1.01417200000 1.01902900000 1.02308400000 + 5732.59737700 0.87565348527 21562.7957290 9563265.00000 24999592.0000 46834.0000000 372.000000000 101864.000000 87732.0000000 100920.000000 138642.000000 64871.0000000 53662.0000000 61771.0000000 85433.0000000 5051.00000000 4647.00000000 5078.00000000 6395.00000000 39994587.0000 39994587.0000 39994587.0000 39994587.0000 1.01691000000 1.01411500000 1.01874800000 1.02276600000 diff --git a/conversion_examples/MultiElementFluor/V_XANES_ap6.001 b/conversion_examples/MultiElementFluor/V_XANES_ap6.001 new file mode 100755 index 0000000..17b4a5b --- /dev/null +++ b/conversion_examples/MultiElementFluor/V_XANES_ap6.001 @@ -0,0 +1,448 @@ +#XDI/1.1 Epics StepScan File / 2.0 +# Scan.start_time: 2018-11-27 07:18:08 +# Legend.Start: Column.N: Name units || EpicsPV +# Column.1: Energy eV || 13IDE:En:Energy.VAL +# Column.2: TSCALER counts || 13IDE:SIS1:mca1 +# Column.3: I0 counts || 13IDE:SIS1:mca2 +# Column.4: I1 counts || 13IDE:SIS1:mca3 +# Column.5: I2 counts || 13IDE:SIS1:mca4 +# Column.6: OutputCounts_mca1 counts || 13QX4:MCA1ROI:1:TSTotal +# Column.7: OutputCounts_mca2 counts || 13QX4:MCA2ROI:1:TSTotal +# Column.8: OutputCounts_mca3 counts || 13QX4:MCA3ROI:1:TSTotal +# Column.9: OutputCounts_mca4 counts || 13QX4:MCA4ROI:1:TSTotal +# Column.10: Ca_Ka_mca1 counts || 13QX4:MCA1ROI:7:TSTotal +# Column.11: Ca_Ka_mca2 counts || 13QX4:MCA2ROI:7:TSTotal +# Column.12: Ca_Ka_mca3 counts || 13QX4:MCA3ROI:7:TSTotal +# Column.13: Ca_Ka_mca4 counts || 13QX4:MCA4ROI:7:TSTotal +# Column.14: V_Ka_mca1 counts || 13QX4:MCA1ROI:10:TSTotal +# Column.15: V_Ka_mca2 counts || 13QX4:MCA2ROI:10:TSTotal +# Column.16: V_Ka_mca3 counts || 13QX4:MCA3ROI:10:TSTotal +# Column.17: V_Ka_mca4 counts || 13QX4:MCA4ROI:10:TSTotal +# Column.18: Clock_mca1 counts || 13QX4:C1SCA0:TSArrayValue +# Column.19: Clock_mca2 counts || 13QX4:C2SCA0:TSArrayValue +# Column.20: Clock_mca3 counts || 13QX4:C3SCA0:TSArrayValue +# Column.21: Clock_mca4 counts || 13QX4:C4SCA0:TSArrayValue +# Column.22: DTFactor_mca1 counts || 13QX4:C1SCA8:TSArrayValue +# Column.23: DTFactor_mca2 counts || 13QX4:C2SCA8:TSArrayValue +# Column.24: DTFactor_mca3 counts || 13QX4:C3SCA8:TSArrayValue +# Column.25: DTFactor_mca4 counts || 13QX4:C4SCA8:TSArrayValue +# Legend.End: here +# Scan.end_time: 2018-11-27 07:21:14 +# ExtraPVs.Start: Family.Member: Value | PV +# Beamline.FOE_Slit_HPos: 0.0250 || 13IDA:m5.VAL +# Beamline.FOE_Slit_HWid: 0.8000 || 13IDA:m6.VAL +# Beamline.FOE_Slit_VPos: -0.1250 || 13IDA:m7.VAL +# Beamline.FOE_Slit_VWid: 0.2500 || 13IDA:m8.VAL +# Beamline.FluxEstimate: 2.475e+12 || 13XRM:ION:FluxOut.VAL +# Beamline.I0_Sensitivity_Number: 100 || 13IDE:A1sens_num.VAL +# Beamline.I0_Sensitivity_Unit: nA/V || 13IDE:A1sens_unit.VAL +# Beamline.I1_Sensitivity_Number: 200 || 13IDE:A2sens_num.VAL +# Beamline.I1_Sensitivity_Unit: nA/V || 13IDE:A2sens_unit.VAL +# Beamline.I2_Sensitivity_Number: 20 || 13IDE:A3sens_num.VAL +# Beamline.I2_Sensitivity_Unit: nA/V || 13IDE:A3sens_unit.VAL +# Beamline.SSA_Slit_HPos: 0 || 13IDA:m69.VAL +# Beamline.SSA_Slit_HWid: 0.0500 || 13IDA:m70.VAL +# Beamline.SSA_Slit_VPos: 0.7500 || 13IDA:m71.VAL +# Beamline.SSA_Slit_VWid: 0.3000 || 13IDA:m72.VAL +# DetectorStage.X: 15380.0 || 13IDE:m34.VAL +# DetectorStage.Y: 291.740 || 13IDE:m4.VAL +# DetectorStage.Z: 125.0000 || 13IDE:m19.VAL +# Facility.Ring_Current: 86.8 || S:SRcurrentAI.VAL +# Facility.Ring_Lifetime: 76.7 || S:SRlifeTimeHrsCC.VAL +# Mono.dspacing: 3.13477 || 13IDE:En:dspace.VAL +# Mono.height: 24.90000 || 13IDE:En:height.VAL +# Mono.theta_offset: 17.54913 || 13IDA:m65.OFF +# Mono.xtal2_pitch: -0.1160 || 13IDA:m67.VAL +# Mono.xtal2_rol: 1.0400 || 13IDA:m68.VAL +# Mono.xtal2_y: 13.3075 || 13IDA:m66.VAL +# Mono.xtal2_y_off: 11.6000 || 13IDA:m66.OFF +# SampleStage.CoarseX: 130.7285 || 13XRM:m4.VAL +# SampleStage.CoarseY: 89.3002 || 13XRM:m5.VAL +# SampleStage.CoarseZ: 211.0609 || 13XRM:m6.VAL +# SampleStage.FineX: 0.35598 || 13XRM:m1.VAL +# SampleStage.FineY: 0.21200 || 13XRM:m2.VAL +# SampleStage.Theta: 0 || 13XRM:m3.VAL +# Undulator.Energy: 5.759 || ID13us:Energy.VAL +# Mono.Energy: 5600.00000 || 13IDE:En:Energy.VAL +# ExtraPVs.End: here +# ScanParameters.Start: Scan.Member: Value +# ScanParameters.ScanType: xafs +# ScanParameters.element: V +# ScanParameters.edge: K +# ScanParameters.E0: 5465.000 +# ScanParameters.Legend: Start, Stop, Step, K-space, Time +# ScanParameters.Region1: -100.000, -10.000, 2.500 False 0.50 +# ScanParameters.Region2: -10.000, 25.008, 0.150 False 0.50 +# ScanParameters.Region3: 2.562, 8.500, 0.060 True 0.50 +# ScanParameters.End: here +# /// Users Comments /// +# +# ------------------------ +# Energy TSCALER I0 I1 I2 OutputCounts_mca1 OutputCounts_mca2 OutputCounts_mca3 OutputCounts_mca4 Ca_Ka_mca1 Ca_Ka_mca2 Ca_Ka_mca3 Ca_Ka_mca4 V_Ka_mca1 V_Ka_mca2 V_Ka_mca3 V_Ka_mca4 Clock_mca1 Clock_mca2 Clock_mca3 Clock_mca4 DTFactor_mca1 DTFactor_mca2 DTFactor_mca3 DTFactor_mca4 + 5365.018037 24999694.000000 11322446.000000 46813.000000 371.000000 310091.000000 99285.000000 116370.000000 157086.000000 212975.000000 65702.000000 76136.000000 103996.000000 282.000000 415.000000 310.000000 365.000000 39994750.000000 39994750.000000 39994750.000000 39994750.000000 1.019055 1.015973 1.021642 1.025811 + 5367.515624 24999220.000000 11195087.000000 46818.000000 372.000000 114597.000000 98053.000000 114994.000000 155828.000000 79196.000000 64766.000000 75286.000000 103539.000000 109.000000 384.000000 297.000000 325.000000 39993991.000000 39993991.000000 39993991.000000 39993991.000000 1.018877 1.015779 1.021388 1.025611 + 5370.016624 24999435.000000 11071327.000000 46789.000000 372.000000 113485.000000 98029.000000 114524.000000 155068.000000 78071.000000 64869.000000 75398.000000 103095.000000 118.000000 441.000000 293.000000 342.000000 39994335.000000 39994335.000000 39994335.000000 39994335.000000 1.018646 1.015772 1.021297 1.025479 + 5372.514719 24999310.000000 11162695.000000 46842.000000 371.000000 112076.000000 98513.000000 114855.000000 155791.000000 77444.000000 65224.000000 75347.000000 103600.000000 102.000000 380.000000 292.000000 359.000000 39994135.000000 39994135.000000 39994135.000000 39994135.000000 1.018787 1.015850 1.021359 1.025598 + 5375.017130 24999742.000000 11338231.000000 46803.000000 372.000000 112941.000000 99611.000000 116374.000000 157328.000000 77950.000000 65835.000000 76322.000000 104558.000000 111.000000 448.000000 303.000000 345.000000 39994826.000000 39994826.000000 39994826.000000 39994826.000000 1.019118 1.016029 1.021648 1.025860 + 5377.518435 24999208.000000 11402681.000000 46839.000000 371.000000 114948.000000 100922.000000 117324.000000 158791.000000 79520.000000 66563.000000 77105.000000 105358.000000 118.000000 429.000000 313.000000 364.000000 39993972.000000 39993972.000000 39993972.000000 39993972.000000 1.019166 1.016239 1.021824 1.026101 + 5380.019534 24999297.000000 11500506.000000 46880.000000 371.000000 115212.000000 101244.000000 118127.000000 160163.000000 79501.000000 66966.000000 77617.000000 106450.000000 113.000000 456.000000 309.000000 375.000000 39994114.000000 39994114.000000 39994114.000000 39994114.000000 1.019358 1.016301 1.021985 1.026349 + 5382.520422 24999382.000000 11486353.000000 47252.000000 372.000000 116261.000000 101620.000000 118866.000000 160600.000000 80236.000000 67143.000000 78185.000000 106182.000000 110.000000 412.000000 321.000000 375.000000 39994250.000000 39994250.000000 39994250.000000 39994250.000000 1.019360 1.016354 1.022116 1.026402 + 5385.021094 24999556.000000 11524891.000000 47215.000000 371.000000 116369.000000 102201.000000 118823.000000 160338.000000 80083.000000 67493.000000 77911.000000 106377.000000 110.000000 443.000000 330.000000 358.000000 39994529.000000 39994529.000000 39994529.000000 39994529.000000 1.019511 1.016450 1.022112 1.026372 + 5387.520638 24999322.000000 11622970.000000 47127.000000 371.000000 117272.000000 102432.000000 119299.000000 162674.000000 80879.000000 67923.000000 78111.000000 107716.000000 109.000000 478.000000 332.000000 377.000000 39994154.000000 39994154.000000 39994154.000000 39994154.000000 1.019671 1.016488 1.022203 1.026751 + 5390.020864 24999645.000000 11625227.000000 46870.000000 372.000000 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39994433.000000 39994433.000000 1.017341 1.014523 1.019395 1.023319 + 5706.457551 24999357.000000 9690930.000000 46809.000000 372.000000 104277.000000 89450.000000 103400.000000 140293.000000 67560.000000 55571.000000 63932.000000 87409.000000 4340.000000 4076.000000 4381.000000 5544.000000 39994210.000000 39994210.000000 39994210.000000 39994210.000000 1.017093 1.014389 1.019208 1.023039 + 5710.109740 24999454.000000 9723172.000000 46528.000000 373.000000 102768.000000 89268.000000 103666.000000 140457.000000 66417.000000 55527.000000 64252.000000 87509.000000 4368.000000 4001.000000 4538.000000 5468.000000 39994365.000000 39994365.000000 39994365.000000 39994365.000000 1.017114 1.014358 1.019256 1.023060 + 5713.790638 24999387.000000 9704287.000000 46588.000000 373.000000 102932.000000 89629.000000 103282.000000 140271.000000 66474.000000 55817.000000 63797.000000 87309.000000 4213.000000 3837.000000 4382.000000 5459.000000 39994259.000000 39994259.000000 39994259.000000 39994259.000000 1.017139 1.014415 1.019187 1.023034 + 5717.496221 24999304.000000 9768209.000000 46559.000000 373.000000 103059.000000 89953.000000 103141.000000 141803.000000 66445.000000 55817.000000 63652.000000 88362.000000 4333.000000 4007.000000 4347.000000 5512.000000 39994126.000000 39994126.000000 39994126.000000 39994126.000000 1.017096 1.014471 1.019163 1.023284 + 5721.229685 24999496.000000 9646502.000000 46484.000000 373.000000 102733.000000 89019.000000 101913.000000 138476.000000 66501.000000 55229.000000 63106.000000 86097.000000 4311.000000 4045.000000 4383.000000 5539.000000 39994432.000000 39994432.000000 39994432.000000 39994432.000000 1.016909 1.014314 1.018927 1.022732 + 5724.992169 24999393.000000 9435244.000000 46471.000000 373.000000 101708.000000 87045.000000 100052.000000 136334.000000 65745.000000 54376.000000 61683.000000 85301.000000 4291.000000 3836.000000 4179.000000 5401.000000 39994267.000000 39994267.000000 39994267.000000 39994267.000000 1.016590 1.013992 1.018574 1.022365 + 5728.780674 24999448.000000 9410200.000000 46489.000000 373.000000 99828.000000 85977.000000 99165.000000 135186.000000 64758.000000 53584.000000 61312.000000 84247.000000 4114.000000 3726.000000 4225.000000 5277.000000 39994356.000000 39994356.000000 39994356.000000 39994356.000000 1.016450 1.013824 1.018412 1.022183 + 5732.596339 24999388.000000 9471963.000000 46508.000000 372.000000 98941.000000 86454.000000 99504.000000 135411.000000 64110.000000 53788.000000 61623.000000 84749.000000 4050.000000 3796.000000 4217.000000 5249.000000 39994260.000000 39994260.000000 39994260.000000 39994260.000000 1.016538 1.013896 1.018470 1.022211 diff --git a/conversion_examples/MultiElementFluor/V_XANES_ap6_new.001 b/conversion_examples/MultiElementFluor/V_XANES_ap6_new.001 new file mode 100644 index 0000000..2a101b6 --- /dev/null +++ b/conversion_examples/MultiElementFluor/V_XANES_ap6_new.001 @@ -0,0 +1,460 @@ +# XDI/1.1 +# Column.1: energy eV +# Column.2: norm +# Column.3: ifluor +# Column.4: i0 +# Column.5: tscaler +# Column.6: i1 +# Column.7: i2 +# Column.8: outputcounts_mca1 +# Column.9: outputcounts_mca2 +# Column.10: outputcounts_mca3 +# Column.11: outputcounts_mca4 +# Column.12: ca_ka_mca1 +# Column.13: ca_ka_mca2 +# Column.14: ca_ka_mca3 +# Column.15: ca_ka_mca4 +# Column.16: v_ka_mca1 +# Column.17: v_ka_mca2 +# Column.18: v_ka_mca3 +# Column.19: v_ka_mca4 +# Column.20: clock_mca1 +# Column.21: clock_mca2 +# Column.22: clock_mca3 +# Column.23: clock_mca4 +# Column.24: dtfactor_mca1 +# Column.25: dtfactor_mca2 +# Column.26: dtfactor_mca3 +# Column.27: dtfactor_mca4 +# Legend.End: here +# Scan.end_time: 2018-11-27 07:21:14 +# ExtraPVs.Start: Family.Member: Value | PV +# Beamline.FOE_Slit_HPos: 0.0250 || 13IDA:m5.VAL +# Beamline.FOE_Slit_HWid: 0.8000 || 13IDA:m6.VAL +# Beamline.FOE_Slit_VPos: -0.1250 || 13IDA:m7.VAL +# Beamline.FOE_Slit_VWid: 0.2500 || 13IDA:m8.VAL +# Beamline.FluxEstimate: 2.475e+12 || 13XRM:ION:FluxOut.VAL +# Beamline.I0_Sensitivity_Number: 100 || 13IDE:A1sens_num.VAL +# Beamline.I0_Sensitivity_Unit: nA/V || 13IDE:A1sens_unit.VAL +# Beamline.I1_Sensitivity_Number: 200 || 13IDE:A2sens_num.VAL +# Beamline.I1_Sensitivity_Unit: nA/V || 13IDE:A2sens_unit.VAL +# Beamline.I2_Sensitivity_Number: 20 || 13IDE:A3sens_num.VAL +# Beamline.I2_Sensitivity_Unit: nA/V || 13IDE:A3sens_unit.VAL +# Beamline.SSA_Slit_HPos: 0 || 13IDA:m69.VAL +# Beamline.SSA_Slit_HWid: 0.0500 || 13IDA:m70.VAL +# Beamline.SSA_Slit_VPos: 0.7500 || 13IDA:m71.VAL +# Beamline.SSA_Slit_VWid: 0.3000 || 13IDA:m72.VAL +# DetectorStage.X: 15380.0 || 13IDE:m34.VAL +# DetectorStage.Y: 291.740 || 13IDE:m4.VAL +# DetectorStage.Z: 125.0000 || 13IDE:m19.VAL +# Facility.Ring_Current: 86.8 || S:SRcurrentAI.VAL +# Facility.Ring_Lifetime: 76.7 || S:SRlifeTimeHrsCC.VAL +# Monochromator.d_spacing: 3.13477 || 13IDE:En:dspace.VAL +# Monochromator.height: 24.90000 || 13IDE:En:height.VAL +# Monochromator.theta_offset: 17.54913 || 13IDA:m65.OFF +# Monochromator.xtal2_pitch: -0.1160 || 13IDA:m67.VAL +# Monochromator.xtal2_rol: 1.0400 || 13IDA:m68.VAL +# Monochromator.xtal2_y: 13.3075 || 13IDA:m66.VAL +# Monochromator.xtal2_y_off: 11.6000 || 13IDA:m66.OFF +# SampleStage.CoarseX: 130.7285 || 13XRM:m4.VAL +# SampleStage.CoarseY: 89.3002 || 13XRM:m5.VAL +# SampleStage.CoarseZ: 211.0609 || 13XRM:m6.VAL +# SampleStage.FineX: 0.35598 || 13XRM:m1.VAL +# SampleStage.FineY: 0.21200 || 13XRM:m2.VAL +# SampleStage.Theta: 0 || 13XRM:m3.VAL +# Undulator.Energy: 5.759 || ID13us:Energy.VAL +# Monochromator.Energy: 5600.00000 || 13IDE:En:Energy.VAL +# ExtraPVs.End: here +# ScanParameters.Start: Scan.Member: Value +# ScanParameters.ScanType: xafs +# ScanParameters.element: V +# ScanParameters.edge: K +# ScanParameters.E0: 5465.000 +# ScanParameters.Legend: Start, Stop, Step, K-space, Time +# ScanParameters.Region1: -100.000, -10.000, 2.500 False 0.50 +# ScanParameters.Region2: -10.000, 25.008, 0.150 False 0.50 +# ScanParameters.Region3: 2.562, 8.500, 0.060 True 0.50 +# ScanParameters.End: here +# Process.program: xraylarch +# Process.version: 0.9.80 +# Process.command: pre_edge(data, nvict=0, pre1=-150, pre2=-50, norm1=150, norm2=750, make_flat=True) +# Process.step1: using col1..col27 for 27 from arrays in rawdata +# Process.step2: energy = col1 # column 1: energy (eV) +# Process.step3: i0 = col4 # column 4: incident beam intensity +# Process.step4: # fluorescence: sum 4 channels, with deadtime corection from columns in the data +# Process.step5: ifluor = col16*col24+col17*col25+col18*col26+col19*col27 +# Process.step6: mu = iflour/i0 +# Process.step7: edge_step = 0.002056264 +# Process.step8: pre_edge = -1.714228e-4 + 5.225041e-8*energy +# Process.step9: intensity = norm = (mu - pre_edge) /edge_step +# /// Users Comments /// +# +#--------------------------------- +# energy norm ifluor i0 tscaler i1 i2 outputcounts_mca1 outputcounts_mca2 outputcounts_mca3 outputcounts_mca4 ca_ka_mca1 ca_ka_mca2 ca_ka_mca3 ca_ka_mca4 v_ka_mca1 v_ka_mca2 v_ka_mca3 v_ka_mca4 clock_mca1 clock_mca2 clock_mca3 clock_mca4 dtfactor_mca1 dtfactor_mca2 dtfactor_mca3 dtfactor_mca4 + 5365.01803700 0.00717725438 1400.13234000 11322446.0000 24999694.0000 46813.0000000 371.000000000 310091.000000 99285.0000000 116370.000000 157086.000000 212975.000000 65702.0000000 76136.0000000 103996.000000 282.000000000 415.000000000 310.000000000 365.000000000 39994750.0000 39994750.0000 39994750.0000 39994750.0000 1.01905500000 1.01597300000 1.02164200000 1.02581100000 + 5367.51562400 -0.00359820205 1137.79254000 11195087.0000 24999220.0000 46818.0000000 372.000000000 114597.000000 98053.0000000 114994.000000 155828.000000 79196.0000000 64766.0000000 75286.0000000 103539.000000 109.000000000 384.000000000 297.000000000 325.000000000 39993991.0000 39993991.0000 39993991.0000 39993991.0000 1.01887700000 1.01577900000 1.02138800000 1.02561100000 + 5370.01662400 0.00041875557 1218.10951900 11071327.0000 24999435.0000 46789.0000000 372.000000000 113485.000000 98029.0000000 114524.000000 155068.000000 78071.0000000 64869.0000000 75398.0000000 103095.000000 118.000000000 441.000000000 293.000000000 342.000000000 39994335.0000 39994335.0000 39994335.0000 39994335.0000 1.01864600000 1.01577200000 1.02129700000 1.02547900000 + 5372.51471900 -0.00277263544 1156.36578400 11162695.0000 24999310.0000 46842.0000000 371.000000000 112076.000000 98513.0000000 114855.000000 155791.000000 77444.0000000 65224.0000000 75347.0000000 103600.000000 102.000000000 380.000000000 292.000000000 359.000000000 39994135.0000 39994135.0000 39994135.0000 39994135.0000 1.01878700000 1.01585000000 1.02135900000 1.02559800000 + 5375.01713000 -0.00038133450 1231.78413400 11338231.0000 24999742.0000 46803.0000000 372.000000000 112941.000000 99611.0000000 116374.000000 157328.000000 77950.0000000 65835.0000000 76322.0000000 104558.000000 111.000000000 448.000000000 303.000000000 345.000000000 39994826.0000 39994826.0000 39994826.0000 39994826.0000 1.01911800000 1.01602900000 1.02164800000 1.02586000000 + 5377.51843500 0.00001460476 1249.55979500 11402681.0000 24999208.0000 46839.0000000 371.000000000 114948.000000 100922.000000 117324.000000 158791.000000 79520.0000000 66563.0000000 77105.0000000 105358.000000 118.000000000 429.000000000 313.000000000 364.000000000 39993972.0000 39993972.0000 39993972.0000 39993972.0000 1.01916600000 1.01623900000 1.02182400000 1.02610100000 + 5380.01953400 0.00075513454 1279.29495000 11500506.0000 24999297.0000 46880.0000000 371.000000000 115212.000000 101244.000000 118127.000000 160163.000000 79501.0000000 66966.0000000 77617.0000000 106450.000000 113.000000000 456.000000000 309.000000000 375.000000000 39994114.0000 39994114.0000 39994114.0000 39994114.0000 1.01935800000 1.01630100000 1.02198500000 1.02634900000 + 5382.52042200 -0.00074171781 1243.86743400 11486353.0000 24999382.0000 47252.0000000 372.000000000 116261.000000 101620.000000 118866.000000 160600.000000 80236.0000000 67143.0000000 78185.0000000 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55817.0000000 63652.0000000 88362.0000000 4333.00000000 4007.00000000 4347.00000000 5512.00000000 39994126.0000 39994126.0000 39994126.0000 39994126.0000 1.01709600000 1.01447100000 1.01916300000 1.02328400000 + 5721.22968500 0.87657894698 18617.6644180 9646502.00000 24999496.0000 46484.0000000 373.000000000 102733.000000 89019.0000000 101913.000000 138476.000000 66501.0000000 55229.0000000 63106.0000000 86097.0000000 4311.00000000 4045.00000000 4383.00000000 5539.00000000 39994432.0000 39994432.0000 39994432.0000 39994432.0000 1.01690900000 1.01431400000 1.01892700000 1.02273200000 + 5724.99216900 0.86722299485 18030.2751130 9435244.00000 24999393.0000 46471.0000000 373.000000000 101708.000000 87045.0000000 100052.000000 136334.000000 65745.0000000 54376.0000000 61683.0000000 85301.0000000 4291.00000000 3836.00000000 4179.00000000 5401.00000000 39994267.0000 39994267.0000 39994267.0000 39994267.0000 1.01659000000 1.01399200000 1.01857400000 1.02236500000 + 5728.78067400 0.85025924127 17656.0339150 9410200.00000 24999448.0000 46489.0000000 373.000000000 99828.0000000 85977.0000000 99165.0000000 135186.000000 64758.0000000 53584.0000000 61312.0000000 84247.0000000 4114.00000000 3726.00000000 4225.00000000 5277.00000000 39994356.0000 39994356.0000 39994356.0000 39994356.0000 1.01645000000 1.01382400000 1.01841200000 1.02218300000 + 5732.59633900 0.84268078508 17626.2016450 9471963.00000 24999388.0000 46508.0000000 372.000000000 98941.0000000 86454.0000000 99504.0000000 135411.000000 64110.0000000 53788.0000000 61623.0000000 84749.0000000 4050.00000000 3796.00000000 4217.00000000 5249.00000000 39994260.0000 39994260.0000 39994260.0000 39994260.0000 1.01653800000 1.01389600000 1.01847000000 1.02221100000 diff --git a/conversion_examples/MultiElementFluor/V_XANES_ap7.001 b/conversion_examples/MultiElementFluor/V_XANES_ap7.001 new file mode 100755 index 0000000..3a484a8 --- /dev/null +++ b/conversion_examples/MultiElementFluor/V_XANES_ap7.001 @@ -0,0 +1,448 @@ +#XDI/1.1 Epics StepScan File / 2.0 +# Scan.start_time: 2018-11-27 07:21:29 +# Legend.Start: Column.N: Name units || EpicsPV +# Column.1: Energy eV || 13IDE:En:Energy.VAL +# Column.2: TSCALER counts || 13IDE:SIS1:mca1 +# Column.3: I0 counts || 13IDE:SIS1:mca2 +# Column.4: I1 counts || 13IDE:SIS1:mca3 +# Column.5: I2 counts || 13IDE:SIS1:mca4 +# Column.6: OutputCounts_mca1 counts || 13QX4:MCA1ROI:1:TSTotal +# Column.7: OutputCounts_mca2 counts || 13QX4:MCA2ROI:1:TSTotal +# Column.8: OutputCounts_mca3 counts || 13QX4:MCA3ROI:1:TSTotal +# Column.9: OutputCounts_mca4 counts || 13QX4:MCA4ROI:1:TSTotal +# Column.10: Ca_Ka_mca1 counts || 13QX4:MCA1ROI:7:TSTotal +# Column.11: Ca_Ka_mca2 counts || 13QX4:MCA2ROI:7:TSTotal +# Column.12: Ca_Ka_mca3 counts || 13QX4:MCA3ROI:7:TSTotal +# Column.13: Ca_Ka_mca4 counts || 13QX4:MCA4ROI:7:TSTotal +# Column.14: V_Ka_mca1 counts || 13QX4:MCA1ROI:10:TSTotal +# Column.15: V_Ka_mca2 counts || 13QX4:MCA2ROI:10:TSTotal +# Column.16: V_Ka_mca3 counts || 13QX4:MCA3ROI:10:TSTotal +# Column.17: V_Ka_mca4 counts || 13QX4:MCA4ROI:10:TSTotal +# Column.18: Clock_mca1 counts || 13QX4:C1SCA0:TSArrayValue +# Column.19: Clock_mca2 counts || 13QX4:C2SCA0:TSArrayValue +# Column.20: Clock_mca3 counts || 13QX4:C3SCA0:TSArrayValue +# Column.21: Clock_mca4 counts || 13QX4:C4SCA0:TSArrayValue +# Column.22: DTFactor_mca1 counts || 13QX4:C1SCA8:TSArrayValue +# Column.23: DTFactor_mca2 counts || 13QX4:C2SCA8:TSArrayValue +# Column.24: DTFactor_mca3 counts || 13QX4:C3SCA8:TSArrayValue +# Column.25: DTFactor_mca4 counts || 13QX4:C4SCA8:TSArrayValue +# Legend.End: here +# Scan.end_time: 2018-11-27 07:24:36 +# ExtraPVs.Start: Family.Member: Value | PV +# Beamline.FOE_Slit_HPos: 0.0250 || 13IDA:m5.VAL +# Beamline.FOE_Slit_HWid: 0.8000 || 13IDA:m6.VAL +# Beamline.FOE_Slit_VPos: -0.1250 || 13IDA:m7.VAL +# Beamline.FOE_Slit_VWid: 0.2500 || 13IDA:m8.VAL +# Beamline.FluxEstimate: 1.438e+12 || 13XRM:ION:FluxOut.VAL +# Beamline.I0_Sensitivity_Number: 100 || 13IDE:A1sens_num.VAL +# Beamline.I0_Sensitivity_Unit: nA/V || 13IDE:A1sens_unit.VAL +# Beamline.I1_Sensitivity_Number: 200 || 13IDE:A2sens_num.VAL +# Beamline.I1_Sensitivity_Unit: nA/V || 13IDE:A2sens_unit.VAL +# Beamline.I2_Sensitivity_Number: 20 || 13IDE:A3sens_num.VAL +# Beamline.I2_Sensitivity_Unit: nA/V || 13IDE:A3sens_unit.VAL +# Beamline.SSA_Slit_HPos: 0 || 13IDA:m69.VAL +# Beamline.SSA_Slit_HWid: 0.0500 || 13IDA:m70.VAL +# Beamline.SSA_Slit_VPos: 0.7500 || 13IDA:m71.VAL +# Beamline.SSA_Slit_VWid: 0.3000 || 13IDA:m72.VAL +# DetectorStage.X: 15380.0 || 13IDE:m34.VAL +# DetectorStage.Y: 291.740 || 13IDE:m4.VAL +# DetectorStage.Z: 125.0000 || 13IDE:m19.VAL +# Facility.Ring_Current: 86.7 || S:SRcurrentAI.VAL +# Facility.Ring_Lifetime: 78.6 || S:SRlifeTimeHrsCC.VAL +# Mono.dspacing: 3.13477 || 13IDE:En:dspace.VAL +# Mono.height: 24.90000 || 13IDE:En:height.VAL +# Mono.theta_offset: 17.54913 || 13IDA:m65.OFF +# Mono.xtal2_pitch: -0.1160 || 13IDA:m67.VAL +# Mono.xtal2_rol: 1.0400 || 13IDA:m68.VAL +# Mono.xtal2_y: 13.3075 || 13IDA:m66.VAL +# Mono.xtal2_y_off: 11.6000 || 13IDA:m66.OFF +# SampleStage.CoarseX: 130.7285 || 13XRM:m4.VAL +# SampleStage.CoarseY: 89.3002 || 13XRM:m5.VAL +# SampleStage.CoarseZ: 211.0609 || 13XRM:m6.VAL +# SampleStage.FineX: 0.15600 || 13XRM:m1.VAL +# SampleStage.FineY: 0.14800 || 13XRM:m2.VAL +# SampleStage.Theta: 0 || 13XRM:m3.VAL +# Undulator.Energy: 5.771 || ID13us:Energy.VAL +# Mono.Energy: 5600.00000 || 13IDE:En:Energy.VAL +# ExtraPVs.End: here +# ScanParameters.Start: Scan.Member: Value +# ScanParameters.ScanType: xafs +# ScanParameters.element: V +# ScanParameters.edge: K +# ScanParameters.E0: 5465.000 +# ScanParameters.Legend: Start, Stop, Step, K-space, Time +# ScanParameters.Region1: -100.000, -10.000, 2.500 False 0.50 +# ScanParameters.Region2: -10.000, 25.008, 0.150 False 0.50 +# ScanParameters.Region3: 2.562, 8.500, 0.060 True 0.50 +# ScanParameters.End: here +# /// Users Comments /// +# +# ------------------------ +# Energy 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87009.000000 118257.000000 56477.000000 46948.000000 53399.000000 73211.000000 4242.000000 3949.000000 4448.000000 5520.000000 39994270.000000 39994270.000000 39994270.000000 39994270.000000 1.014410 1.012185 1.016114 1.019345 + 5710.109740 24999400.000000 8173680.000000 46765.000000 374.000000 86908.000000 76087.000000 86953.000000 118697.000000 56149.000000 47173.000000 53475.000000 73547.000000 4254.000000 4025.000000 4354.000000 5377.000000 39994280.000000 39994280.000000 39994280.000000 39994280.000000 1.014526 1.012213 1.016109 1.019428 + 5713.788576 24999459.000000 8022114.000000 46815.000000 373.000000 87576.000000 74626.000000 85901.000000 116431.000000 56195.000000 46137.000000 52828.000000 72593.000000 4247.000000 3873.000000 4176.000000 5377.000000 39994373.000000 39994373.000000 39994373.000000 39994373.000000 1.014219 1.011976 1.015910 1.019046 + 5717.495189 24999394.000000 7941142.000000 46877.000000 374.000000 85732.000000 73669.000000 84057.000000 114758.000000 55166.000000 45741.000000 51748.000000 71424.000000 4149.000000 3856.000000 4224.000000 5315.000000 39994269.000000 39994269.000000 39994269.000000 39994269.000000 1.014048 1.011818 1.015562 1.018764 + 5721.228651 24999417.000000 8045879.000000 46713.000000 374.000000 84752.000000 74241.000000 85646.000000 116219.000000 54547.000000 45814.000000 52758.000000 72365.000000 4195.000000 3841.000000 4293.000000 5367.000000 39994307.000000 39994307.000000 39994307.000000 39994307.000000 1.014209 1.011916 1.015861 1.019012 + 5724.990098 24999388.000000 7847290.000000 46757.000000 373.000000 85689.000000 72601.000000 83848.000000 113134.000000 55047.000000 44895.000000 51736.000000 70485.000000 4273.000000 3686.000000 4157.000000 5272.000000 39994260.000000 39994260.000000 39994260.000000 39994260.000000 1.013809 1.011645 1.015519 1.018492 + 5728.780674 24999753.000000 7799345.000000 46769.000000 374.000000 83319.000000 71870.000000 82246.000000 112017.000000 53572.000000 44771.000000 50700.000000 69401.000000 4084.000000 3589.000000 4105.000000 5182.000000 39994844.000000 39994844.000000 39994844.000000 39994844.000000 1.013720 1.011533 1.015230 1.018324 + 5732.597377 24999070.000000 7829173.000000 46765.000000 374.000000 82720.000000 71656.000000 82565.000000 111951.000000 53597.000000 44627.000000 50934.000000 69586.000000 4119.000000 3675.000000 4117.000000 5286.000000 39993750.000000 39993750.000000 39993750.000000 39993750.000000 1.013693 1.011495 1.015282 1.018302 diff --git a/conversion_examples/MultiElementFluor/V_XANES_ap7_new.001 b/conversion_examples/MultiElementFluor/V_XANES_ap7_new.001 new file mode 100644 index 0000000..1341e6f --- /dev/null +++ b/conversion_examples/MultiElementFluor/V_XANES_ap7_new.001 @@ -0,0 +1,460 @@ +# XDI/1.1 +# Column.1: energy eV +# Column.2: norm +# Column.3: ifluor +# Column.4: i0 +# Column.5: tscaler +# Column.6: i1 +# Column.7: i2 +# Column.8: outputcounts_mca1 +# Column.9: outputcounts_mca2 +# Column.10: outputcounts_mca3 +# Column.11: outputcounts_mca4 +# Column.12: ca_ka_mca1 +# Column.13: ca_ka_mca2 +# Column.14: ca_ka_mca3 +# Column.15: ca_ka_mca4 +# Column.16: v_ka_mca1 +# Column.17: v_ka_mca2 +# Column.18: v_ka_mca3 +# Column.19: v_ka_mca4 +# Column.20: clock_mca1 +# Column.21: clock_mca2 +# Column.22: clock_mca3 +# Column.23: clock_mca4 +# Column.24: dtfactor_mca1 +# Column.25: dtfactor_mca2 +# Column.26: dtfactor_mca3 +# Column.27: dtfactor_mca4 +# Legend.End: here +# Scan.end_time: 2018-11-27 07:24:36 +# ExtraPVs.Start: Family.Member: Value | PV +# Beamline.FOE_Slit_HPos: 0.0250 || 13IDA:m5.VAL +# Beamline.FOE_Slit_HWid: 0.8000 || 13IDA:m6.VAL +# Beamline.FOE_Slit_VPos: -0.1250 || 13IDA:m7.VAL +# Beamline.FOE_Slit_VWid: 0.2500 || 13IDA:m8.VAL +# Beamline.FluxEstimate: 1.438e+12 || 13XRM:ION:FluxOut.VAL +# Beamline.I0_Sensitivity_Number: 100 || 13IDE:A1sens_num.VAL +# Beamline.I0_Sensitivity_Unit: nA/V || 13IDE:A1sens_unit.VAL +# Beamline.I1_Sensitivity_Number: 200 || 13IDE:A2sens_num.VAL +# Beamline.I1_Sensitivity_Unit: nA/V || 13IDE:A2sens_unit.VAL +# Beamline.I2_Sensitivity_Number: 20 || 13IDE:A3sens_num.VAL +# Beamline.I2_Sensitivity_Unit: nA/V || 13IDE:A3sens_unit.VAL +# Beamline.SSA_Slit_HPos: 0 || 13IDA:m69.VAL +# Beamline.SSA_Slit_HWid: 0.0500 || 13IDA:m70.VAL +# Beamline.SSA_Slit_VPos: 0.7500 || 13IDA:m71.VAL +# Beamline.SSA_Slit_VWid: 0.3000 || 13IDA:m72.VAL +# DetectorStage.X: 15380.0 || 13IDE:m34.VAL +# DetectorStage.Y: 291.740 || 13IDE:m4.VAL +# DetectorStage.Z: 125.0000 || 13IDE:m19.VAL +# Facility.Ring_Current: 86.7 || S:SRcurrentAI.VAL +# Facility.Ring_Lifetime: 78.6 || S:SRlifeTimeHrsCC.VAL +# Monochromator.d_spacing: 3.13477 || 13IDE:En:dspace.VAL +# Monochromator.height: 24.90000 || 13IDE:En:height.VAL +# Monochromator.theta_offset: 17.54913 || 13IDA:m65.OFF +# Monochromator.xtal2_pitch: -0.1160 || 13IDA:m67.VAL +# Monochromator.xtal2_rol: 1.0400 || 13IDA:m68.VAL +# Monochromator.xtal2_y: 13.3075 || 13IDA:m66.VAL +# Monochromator.xtal2_y_off: 11.6000 || 13IDA:m66.OFF +# SampleStage.CoarseX: 130.7285 || 13XRM:m4.VAL +# SampleStage.CoarseY: 89.3002 || 13XRM:m5.VAL +# SampleStage.CoarseZ: 211.0609 || 13XRM:m6.VAL +# SampleStage.FineX: 0.15600 || 13XRM:m1.VAL +# SampleStage.FineY: 0.14800 || 13XRM:m2.VAL +# SampleStage.Theta: 0 || 13XRM:m3.VAL +# Undulator.Energy: 5.771 || ID13us:Energy.VAL +# Monochromator.Energy: 5600.00000 || 13IDE:En:Energy.VAL +# ExtraPVs.End: here +# ScanParameters.Start: Scan.Member: Value +# ScanParameters.ScanType: xafs +# ScanParameters.element: V +# ScanParameters.edge: K +# ScanParameters.E0: 5465.000 +# ScanParameters.Legend: Start, Stop, Step, K-space, Time +# ScanParameters.Region1: -100.000, -10.000, 2.500 False 0.50 +# ScanParameters.Region2: -10.000, 25.008, 0.150 False 0.50 +# ScanParameters.Region3: 2.562, 8.500, 0.060 True 0.50 +# ScanParameters.End: here +# Process.program: xraylarch +# Process.version: 0.9.80 +# Process.command: pre_edge(data, nvict=0, pre1=-150, pre2=-50, norm1=150, norm2=750, make_flat=True) +# Process.step1: using col1..col27 for 27 from arrays in rawdata +# Process.step2: energy = col1 # column 1: energy (eV) +# Process.step3: i0 = col4 # column 4: incident beam intensity +# Process.step4: # fluorescence: sum 4 channels, with deadtime corection from columns in the data +# Process.step5: ifluor = col16*col24+col17*col25+col18*col26+col19*col27 +# Process.step6: mu = iflour/i0 +# Process.step7: edge_step = 0.002454442 +# Process.step8: pre_edge = 4.638215e-6 + 1.906745e-8*energy +# Process.step9: intensity = norm = (mu - pre_edge) /edge_step +# /// Users Comments /// +# +#--------------------------------- +# energy norm ifluor i0 tscaler i1 i2 outputcounts_mca1 outputcounts_mca2 outputcounts_mca3 outputcounts_mca4 ca_ka_mca1 ca_ka_mca2 ca_ka_mca3 ca_ka_mca4 v_ka_mca1 v_ka_mca2 v_ka_mca3 v_ka_mca4 clock_mca1 clock_mca2 clock_mca3 clock_mca4 dtfactor_mca1 dtfactor_mca2 dtfactor_mca3 dtfactor_mca4 + 5365.01623500 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Energy eV || 13IDE:En:Energy.VAL +# Column.2: TSCALER counts || 13IDE:SIS1:mca1 +# Column.3: I0 counts || 13IDE:SIS1:mca2 +# Column.4: I1 counts || 13IDE:SIS1:mca3 +# Column.5: I2 counts || 13IDE:SIS1:mca4 +# Column.6: OutputCounts_mca1 counts || 13QX4:MCA1ROI:1:TSTotal +# Column.7: OutputCounts_mca2 counts || 13QX4:MCA2ROI:1:TSTotal +# Column.8: OutputCounts_mca3 counts || 13QX4:MCA3ROI:1:TSTotal +# Column.9: OutputCounts_mca4 counts || 13QX4:MCA4ROI:1:TSTotal +# Column.10: Ca_Ka_mca1 counts || 13QX4:MCA1ROI:7:TSTotal +# Column.11: Ca_Ka_mca2 counts || 13QX4:MCA2ROI:7:TSTotal +# Column.12: Ca_Ka_mca3 counts || 13QX4:MCA3ROI:7:TSTotal +# Column.13: Ca_Ka_mca4 counts || 13QX4:MCA4ROI:7:TSTotal +# Column.14: V_Ka_mca1 counts || 13QX4:MCA1ROI:10:TSTotal +# Column.15: V_Ka_mca2 counts || 13QX4:MCA2ROI:10:TSTotal +# Column.16: V_Ka_mca3 counts || 13QX4:MCA3ROI:10:TSTotal +# Column.17: V_Ka_mca4 counts || 13QX4:MCA4ROI:10:TSTotal +# Column.18: Clock_mca1 counts || 13QX4:C1SCA0:TSArrayValue +# Column.19: Clock_mca2 counts || 13QX4:C2SCA0:TSArrayValue +# Column.20: Clock_mca3 counts || 13QX4:C3SCA0:TSArrayValue +# Column.21: Clock_mca4 counts || 13QX4:C4SCA0:TSArrayValue +# Column.22: DTFactor_mca1 counts || 13QX4:C1SCA8:TSArrayValue +# Column.23: DTFactor_mca2 counts || 13QX4:C2SCA8:TSArrayValue +# Column.24: DTFactor_mca3 counts || 13QX4:C3SCA8:TSArrayValue +# Column.25: DTFactor_mca4 counts || 13QX4:C4SCA8:TSArrayValue +# Legend.End: here +# Scan.end_time: 2018-11-27 07:27:57 +# ExtraPVs.Start: Family.Member: Value | PV +# Beamline.FOE_Slit_HPos: 0.0250 || 13IDA:m5.VAL +# Beamline.FOE_Slit_HWid: 0.8000 || 13IDA:m6.VAL +# Beamline.FOE_Slit_VPos: -0.1250 || 13IDA:m7.VAL +# Beamline.FOE_Slit_VWid: 0.2500 || 13IDA:m8.VAL +# Beamline.FluxEstimate: 2.708e+12 || 13XRM:ION:FluxOut.VAL +# Beamline.I0_Sensitivity_Number: 100 || 13IDE:A1sens_num.VAL +# Beamline.I0_Sensitivity_Unit: nA/V || 13IDE:A1sens_unit.VAL +# Beamline.I1_Sensitivity_Number: 200 || 13IDE:A2sens_num.VAL +# Beamline.I1_Sensitivity_Unit: nA/V || 13IDE:A2sens_unit.VAL +# Beamline.I2_Sensitivity_Number: 20 || 13IDE:A3sens_num.VAL +# Beamline.I2_Sensitivity_Unit: nA/V || 13IDE:A3sens_unit.VAL +# Beamline.SSA_Slit_HPos: 0 || 13IDA:m69.VAL +# Beamline.SSA_Slit_HWid: 0.0500 || 13IDA:m70.VAL +# Beamline.SSA_Slit_VPos: 0.7500 || 13IDA:m71.VAL +# Beamline.SSA_Slit_VWid: 0.3000 || 13IDA:m72.VAL +# DetectorStage.X: 15380.0 || 13IDE:m34.VAL +# DetectorStage.Y: 291.740 || 13IDE:m4.VAL +# DetectorStage.Z: 125.0000 || 13IDE:m19.VAL +# Facility.Ring_Current: 86.7 || S:SRcurrentAI.VAL +# Facility.Ring_Lifetime: 71.3 || S:SRlifeTimeHrsCC.VAL +# Mono.dspacing: 3.13477 || 13IDE:En:dspace.VAL +# Mono.height: 24.90000 || 13IDE:En:height.VAL +# Mono.theta_offset: 17.54913 || 13IDA:m65.OFF +# Mono.xtal2_pitch: -0.1160 || 13IDA:m67.VAL +# Mono.xtal2_rol: 1.0400 || 13IDA:m68.VAL +# Mono.xtal2_y: 13.3075 || 13IDA:m66.VAL +# Mono.xtal2_y_off: 11.6000 || 13IDA:m66.OFF +# SampleStage.CoarseX: 130.7285 || 13XRM:m4.VAL +# SampleStage.CoarseY: 89.3002 || 13XRM:m5.VAL +# SampleStage.CoarseZ: 211.0609 || 13XRM:m6.VAL +# SampleStage.FineX: 0.07205 || 13XRM:m1.VAL +# SampleStage.FineY: 0.08400 || 13XRM:m2.VAL +# SampleStage.Theta: 0 || 13XRM:m3.VAL +# Undulator.Energy: 5.766 || ID13us:Energy.VAL +# Mono.Energy: 5600.00000 || 13IDE:En:Energy.VAL +# ExtraPVs.End: here +# ScanParameters.Start: Scan.Member: Value +# ScanParameters.ScanType: xafs +# ScanParameters.element: V +# ScanParameters.edge: K +# ScanParameters.E0: 5465.000 +# ScanParameters.Legend: Start, Stop, Step, K-space, Time +# ScanParameters.Region1: -100.000, -10.000, 2.500 False 0.50 +# ScanParameters.Region2: -10.000, 25.008, 0.150 False 0.50 +# ScanParameters.Region3: 2.562, 8.500, 0.060 True 0.50 +# ScanParameters.End: here +# /// Users Comments /// +# +# ------------------------ +# Energy TSCALER I0 I1 I2 OutputCounts_mca1 OutputCounts_mca2 OutputCounts_mca3 OutputCounts_mca4 Ca_Ka_mca1 Ca_Ka_mca2 Ca_Ka_mca3 Ca_Ka_mca4 V_Ka_mca1 V_Ka_mca2 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39994164.000000 39994164.000000 1.012751 1.010807 1.014206 1.017103 + 5732.597377 24999429.000000 7712602.000000 46952.000000 374.000000 76531.000000 66656.000000 75954.000000 103331.000000 52638.000000 44128.000000 49939.000000 68344.000000 470.000000 554.000000 592.000000 692.000000 39994325.000000 39994325.000000 39994325.000000 39994325.000000 1.012646 1.010669 1.014030 1.016843 diff --git a/conversion_examples/MultiElementFluor/V_XANES_ap8_new.001 b/conversion_examples/MultiElementFluor/V_XANES_ap8_new.001 new file mode 100644 index 0000000..8c1a4c4 --- /dev/null +++ b/conversion_examples/MultiElementFluor/V_XANES_ap8_new.001 @@ -0,0 +1,460 @@ +# XDI/1.1 +# Column.1: energy eV +# Column.2: norm +# Column.3: ifluor +# Column.4: i0 +# Column.5: tscaler +# Column.6: i1 +# Column.7: i2 +# Column.8: outputcounts_mca1 +# Column.9: outputcounts_mca2 +# Column.10: outputcounts_mca3 +# Column.11: outputcounts_mca4 +# Column.12: ca_ka_mca1 +# Column.13: ca_ka_mca2 +# Column.14: ca_ka_mca3 +# Column.15: ca_ka_mca4 +# Column.16: v_ka_mca1 +# Column.17: v_ka_mca2 +# Column.18: v_ka_mca3 +# Column.19: v_ka_mca4 +# Column.20: clock_mca1 +# Column.21: clock_mca2 +# Column.22: clock_mca3 +# Column.23: clock_mca4 +# Column.24: dtfactor_mca1 +# Column.25: dtfactor_mca2 +# Column.26: dtfactor_mca3 +# Column.27: dtfactor_mca4 +# Legend.End: here +# Scan.end_time: 2018-11-27 07:27:57 +# ExtraPVs.Start: Family.Member: Value | PV +# Beamline.FOE_Slit_HPos: 0.0250 || 13IDA:m5.VAL +# Beamline.FOE_Slit_HWid: 0.8000 || 13IDA:m6.VAL +# Beamline.FOE_Slit_VPos: -0.1250 || 13IDA:m7.VAL +# Beamline.FOE_Slit_VWid: 0.2500 || 13IDA:m8.VAL +# Beamline.FluxEstimate: 2.708e+12 || 13XRM:ION:FluxOut.VAL +# Beamline.I0_Sensitivity_Number: 100 || 13IDE:A1sens_num.VAL +# Beamline.I0_Sensitivity_Unit: nA/V || 13IDE:A1sens_unit.VAL +# Beamline.I1_Sensitivity_Number: 200 || 13IDE:A2sens_num.VAL +# Beamline.I1_Sensitivity_Unit: nA/V || 13IDE:A2sens_unit.VAL +# Beamline.I2_Sensitivity_Number: 20 || 13IDE:A3sens_num.VAL +# Beamline.I2_Sensitivity_Unit: nA/V || 13IDE:A3sens_unit.VAL +# Beamline.SSA_Slit_HPos: 0 || 13IDA:m69.VAL +# Beamline.SSA_Slit_HWid: 0.0500 || 13IDA:m70.VAL +# Beamline.SSA_Slit_VPos: 0.7500 || 13IDA:m71.VAL +# Beamline.SSA_Slit_VWid: 0.3000 || 13IDA:m72.VAL +# DetectorStage.X: 15380.0 || 13IDE:m34.VAL +# DetectorStage.Y: 291.740 || 13IDE:m4.VAL +# DetectorStage.Z: 125.0000 || 13IDE:m19.VAL +# Facility.Ring_Current: 86.7 || S:SRcurrentAI.VAL +# Facility.Ring_Lifetime: 71.3 || S:SRlifeTimeHrsCC.VAL +# Monochromator.d_spacing: 3.13477 || 13IDE:En:dspace.VAL +# Monochromator.height: 24.90000 || 13IDE:En:height.VAL +# Monochromator.theta_offset: 17.54913 || 13IDA:m65.OFF +# Monochromator.xtal2_pitch: -0.1160 || 13IDA:m67.VAL +# Monochromator.xtal2_rol: 1.0400 || 13IDA:m68.VAL +# Monochromator.xtal2_y: 13.3075 || 13IDA:m66.VAL +# Monochromator.xtal2_y_off: 11.6000 || 13IDA:m66.OFF +# SampleStage.CoarseX: 130.7285 || 13XRM:m4.VAL +# SampleStage.CoarseY: 89.3002 || 13XRM:m5.VAL +# SampleStage.CoarseZ: 211.0609 || 13XRM:m6.VAL +# SampleStage.FineX: 0.07205 || 13XRM:m1.VAL +# SampleStage.FineY: 0.08400 || 13XRM:m2.VAL +# SampleStage.Theta: 0 || 13XRM:m3.VAL +# Undulator.Energy: 5.766 || ID13us:Energy.VAL +# Monochromator.Energy: 5600.00000 || 13IDE:En:Energy.VAL +# ExtraPVs.End: here +# ScanParameters.Start: Scan.Member: Value +# ScanParameters.ScanType: xafs +# ScanParameters.element: V +# ScanParameters.edge: K +# ScanParameters.E0: 5465.000 +# ScanParameters.Legend: Start, Stop, Step, K-space, Time +# ScanParameters.Region1: -100.000, -10.000, 2.500 False 0.50 +# ScanParameters.Region2: -10.000, 25.008, 0.150 False 0.50 +# ScanParameters.Region3: 2.562, 8.500, 0.060 True 0.50 +# ScanParameters.End: here +# Process.program: xraylarch +# Process.version: 0.9.80 +# Process.command: pre_edge(data, nvict=0, pre1=-150, pre2=-50, norm1=150, norm2=750, make_flat=True) +# Process.step1: using col1..col27 for 27 from arrays in rawdata +# Process.step2: energy = col1 # column 1: energy (eV) +# Process.step3: i0 = col4 # column 4: incident beam intensity +# Process.step4: # fluorescence: sum 4 channels, with deadtime corection from columns in the data +# Process.step5: ifluor = col16*col24+col17*col25+col18*col26+col19*col27 +# Process.step6: mu = iflour/i0 +# Process.step7: edge_step = 2.669528e-4 +# Process.step8: pre_edge = 1.909377e-4 + -1.586601e-8*energy +# Process.step9: intensity = norm = (mu - pre_edge) /edge_step +# /// Users Comments /// +# +#--------------------------------- +# energy norm ifluor i0 tscaler i1 i2 outputcounts_mca1 outputcounts_mca2 outputcounts_mca3 outputcounts_mca4 ca_ka_mca1 ca_ka_mca2 ca_ka_mca3 ca_ka_mca4 v_ka_mca1 v_ka_mca2 v_ka_mca3 v_ka_mca4 clock_mca1 clock_mca2 clock_mca3 clock_mca4 dtfactor_mca1 dtfactor_mca2 dtfactor_mca3 dtfactor_mca4 + 5365.01803700 0.01082126313 1153.90063200 10614970.0000 24999436.0000 46857.0000000 373.000000000 108314.000000 93490.0000000 108863.000000 147082.000000 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578.000000000 704.000000000 39994164.0000 39994164.0000 39994164.0000 39994164.0000 1.01275100000 1.01080700000 1.01420600000 1.01710300000 + 5732.59737700 0.76190022761 2339.81536200 7712602.00000 24999429.0000 46952.0000000 374.000000000 76531.0000000 66656.0000000 75954.0000000 103331.000000 52638.0000000 44128.0000000 49939.0000000 68344.0000000 470.000000000 554.000000000 592.000000000 692.000000000 39994325.0000 39994325.0000 39994325.0000 39994325.0000 1.01264600000 1.01066900000 1.01403000000 1.01684300000 diff --git a/conversion_examples/MultiElementFluor/V_XANES_ap9.001 b/conversion_examples/MultiElementFluor/V_XANES_ap9.001 new file mode 100755 index 0000000..1baa7af --- /dev/null +++ b/conversion_examples/MultiElementFluor/V_XANES_ap9.001 @@ -0,0 +1,448 @@ +#XDI/1.1 Epics StepScan File / 2.0 +# Scan.start_time: 2018-11-27 07:28:12 +# Legend.Start: Column.N: Name units || EpicsPV +# Column.1: Energy eV || 13IDE:En:Energy.VAL +# Column.2: TSCALER counts || 13IDE:SIS1:mca1 +# Column.3: I0 counts || 13IDE:SIS1:mca2 +# Column.4: I1 counts || 13IDE:SIS1:mca3 +# Column.5: I2 counts || 13IDE:SIS1:mca4 +# Column.6: OutputCounts_mca1 counts || 13QX4:MCA1ROI:1:TSTotal +# Column.7: OutputCounts_mca2 counts || 13QX4:MCA2ROI:1:TSTotal +# Column.8: OutputCounts_mca3 counts || 13QX4:MCA3ROI:1:TSTotal +# Column.9: OutputCounts_mca4 counts || 13QX4:MCA4ROI:1:TSTotal +# Column.10: Ca_Ka_mca1 counts || 13QX4:MCA1ROI:7:TSTotal +# Column.11: Ca_Ka_mca2 counts || 13QX4:MCA2ROI:7:TSTotal +# Column.12: Ca_Ka_mca3 counts || 13QX4:MCA3ROI:7:TSTotal +# Column.13: Ca_Ka_mca4 counts || 13QX4:MCA4ROI:7:TSTotal +# Column.14: V_Ka_mca1 counts || 13QX4:MCA1ROI:10:TSTotal +# Column.15: V_Ka_mca2 counts || 13QX4:MCA2ROI:10:TSTotal +# Column.16: V_Ka_mca3 counts || 13QX4:MCA3ROI:10:TSTotal +# Column.17: V_Ka_mca4 counts || 13QX4:MCA4ROI:10:TSTotal +# Column.18: Clock_mca1 counts || 13QX4:C1SCA0:TSArrayValue +# Column.19: Clock_mca2 counts || 13QX4:C2SCA0:TSArrayValue +# Column.20: Clock_mca3 counts || 13QX4:C3SCA0:TSArrayValue +# Column.21: Clock_mca4 counts || 13QX4:C4SCA0:TSArrayValue +# Column.22: DTFactor_mca1 counts || 13QX4:C1SCA8:TSArrayValue +# Column.23: DTFactor_mca2 counts || 13QX4:C2SCA8:TSArrayValue +# Column.24: DTFactor_mca3 counts || 13QX4:C3SCA8:TSArrayValue +# Column.25: DTFactor_mca4 counts || 13QX4:C4SCA8:TSArrayValue +# Legend.End: here +# Scan.end_time: 2018-11-27 07:31:19 +# ExtraPVs.Start: Family.Member: Value | PV +# Beamline.FOE_Slit_HPos: 0.0250 || 13IDA:m5.VAL +# Beamline.FOE_Slit_HWid: 0.8000 || 13IDA:m6.VAL +# Beamline.FOE_Slit_VPos: -0.1250 || 13IDA:m7.VAL +# Beamline.FOE_Slit_VWid: 0.2500 || 13IDA:m8.VAL +# Beamline.FluxEstimate: 1.416e+12 || 13XRM:ION:FluxOut.VAL +# Beamline.I0_Sensitivity_Number: 100 || 13IDE:A1sens_num.VAL +# Beamline.I0_Sensitivity_Unit: nA/V || 13IDE:A1sens_unit.VAL +# Beamline.I1_Sensitivity_Number: 200 || 13IDE:A2sens_num.VAL +# Beamline.I1_Sensitivity_Unit: nA/V || 13IDE:A2sens_unit.VAL +# Beamline.I2_Sensitivity_Number: 20 || 13IDE:A3sens_num.VAL +# Beamline.I2_Sensitivity_Unit: nA/V || 13IDE:A3sens_unit.VAL +# Beamline.SSA_Slit_HPos: 0 || 13IDA:m69.VAL +# Beamline.SSA_Slit_HWid: 0.0500 || 13IDA:m70.VAL +# Beamline.SSA_Slit_VPos: 0.7500 || 13IDA:m71.VAL +# Beamline.SSA_Slit_VWid: 0.3000 || 13IDA:m72.VAL +# DetectorStage.X: 15380.0 || 13IDE:m34.VAL +# DetectorStage.Y: 291.740 || 13IDE:m4.VAL +# DetectorStage.Z: 125.0000 || 13IDE:m19.VAL +# Facility.Ring_Current: 86.6 || S:SRcurrentAI.VAL +# Facility.Ring_Lifetime: 81.3 || S:SRlifeTimeHrsCC.VAL +# Mono.dspacing: 3.13477 || 13IDE:En:dspace.VAL +# Mono.height: 24.90000 || 13IDE:En:height.VAL +# Mono.theta_offset: 17.54913 || 13IDA:m65.OFF +# Mono.xtal2_pitch: -0.1160 || 13IDA:m67.VAL +# Mono.xtal2_rol: 1.0400 || 13IDA:m68.VAL +# Mono.xtal2_y: 13.3075 || 13IDA:m66.VAL +# Mono.xtal2_y_off: 11.6000 || 13IDA:m66.OFF +# SampleStage.CoarseX: 130.7285 || 13XRM:m4.VAL +# SampleStage.CoarseY: 89.3002 || 13XRM:m5.VAL +# SampleStage.CoarseZ: 211.0609 || 13XRM:m6.VAL +# SampleStage.FineX: -0.42001 || 13XRM:m1.VAL +# SampleStage.FineY: -0.02400 || 13XRM:m2.VAL +# SampleStage.Theta: 0 || 13XRM:m3.VAL +# Undulator.Energy: 5.764 || ID13us:Energy.VAL +# Mono.Energy: 5600.00000 || 13IDE:En:Energy.VAL +# ExtraPVs.End: here +# ScanParameters.Start: Scan.Member: Value +# ScanParameters.ScanType: xafs +# ScanParameters.element: V +# ScanParameters.edge: K +# ScanParameters.E0: 5465.000 +# ScanParameters.Legend: Start, Stop, Step, K-space, Time +# ScanParameters.Region1: -100.000, -10.000, 2.500 False 0.50 +# ScanParameters.Region2: -10.000, 25.008, 0.150 False 0.50 +# ScanParameters.Region3: 2.562, 8.500, 0.060 True 0.50 +# ScanParameters.End: here +# /// Users Comments /// +# +# ------------------------ +# Energy TSCALER I0 I1 I2 OutputCounts_mca1 OutputCounts_mca2 OutputCounts_mca3 OutputCounts_mca4 Ca_Ka_mca1 Ca_Ka_mca2 Ca_Ka_mca3 Ca_Ka_mca4 V_Ka_mca1 V_Ka_mca2 V_Ka_mca3 V_Ka_mca4 Clock_mca1 Clock_mca2 Clock_mca3 Clock_mca4 DTFactor_mca1 DTFactor_mca2 DTFactor_mca3 DTFactor_mca4 + 5365.018037 24999532.000000 10609159.000000 47066.000000 374.000000 106819.000000 92809.000000 107424.000000 143706.000000 73381.000000 61805.000000 70972.000000 95226.000000 110.000000 388.000000 287.000000 357.000000 39994491.000000 39994491.000000 39994491.000000 39994491.000000 1.017729 1.014913 1.019948 1.023580 + 5367.513821 24999358.000000 10444385.000000 46987.000000 373.000000 105315.000000 91379.000000 106112.000000 141275.000000 72553.000000 60883.000000 69759.000000 94181.000000 94.000000 357.000000 268.000000 334.000000 39994213.000000 39994213.000000 39994213.000000 39994213.000000 1.017482 1.014684 1.019703 1.023182 + 5370.015722 24999369.000000 10248428.000000 46865.000000 374.000000 103317.000000 90684.000000 104300.000000 138656.000000 71429.000000 60184.000000 68703.000000 91810.000000 110.000000 356.000000 253.000000 342.000000 39994230.000000 39994230.000000 39994230.000000 39994230.000000 1.017137 1.014562 1.019355 1.022734 + 5372.515622 24999442.000000 10302525.000000 46935.000000 373.000000 103981.000000 90863.000000 104878.000000 139887.000000 71551.000000 60540.000000 69081.000000 92894.000000 100.000000 372.000000 287.000000 323.000000 39994347.000000 39994347.000000 39994347.000000 39994347.000000 1.017263 1.014599 1.019470 1.022950 + 5375.017130 24999513.000000 10495494.000000 46926.000000 374.000000 105563.000000 93477.000000 106573.000000 142487.000000 72692.000000 61957.000000 69881.000000 94498.000000 90.000000 417.000000 307.000000 328.000000 39994461.000000 39994461.000000 39994461.000000 39994461.000000 1.017521 1.015014 1.019786 1.023374 + 5377.518435 24999388.000000 10493083.000000 46999.000000 373.000000 106165.000000 92388.000000 106912.000000 142636.000000 73276.000000 61352.000000 70418.000000 94831.000000 102.000000 383.000000 296.000000 326.000000 39994260.000000 39994260.000000 39994260.000000 39994260.000000 1.017626 1.014848 1.019855 1.023412 + 5380.019534 24999634.000000 10538291.000000 46927.000000 374.000000 106206.000000 92528.000000 107400.000000 143313.000000 72906.000000 61439.000000 70414.000000 95323.000000 102.000000 404.000000 309.000000 319.000000 39994654.000000 39994654.000000 39994654.000000 39994654.000000 1.017638 1.014871 1.019947 1.023523 + 5382.519515 24998985.000000 10660145.000000 46909.000000 373.000000 107104.000000 94518.000000 108222.000000 145271.000000 73793.000000 62664.000000 71036.000000 96756.000000 100.000000 380.000000 299.000000 348.000000 39993616.000000 39993616.000000 39993616.000000 39993616.000000 1.017782 1.015185 1.020098 1.023835 + 5385.018371 24999616.000000 10689732.000000 46961.000000 374.000000 107870.000000 94789.000000 108925.000000 145135.000000 74027.000000 62631.000000 71447.000000 96708.000000 126.000000 365.000000 325.000000 322.000000 39994625.000000 39994625.000000 39994625.000000 39994625.000000 1.017922 1.015238 1.020237 1.023835 + 5387.517911 24999376.000000 10776278.000000 46978.000000 373.000000 108793.000000 95799.000000 110327.000000 147072.000000 75190.000000 63236.000000 72574.000000 97782.000000 112.000000 398.000000 274.000000 367.000000 39994242.000000 39994242.000000 39994242.000000 39994242.000000 1.018071 1.015398 1.020497 1.024149 + 5390.019954 24999381.000000 10719218.000000 46966.000000 373.000000 108715.000000 94784.000000 109053.000000 145778.000000 75102.000000 62817.000000 71615.000000 97008.000000 121.000000 370.000000 299.000000 338.000000 39994249.000000 39994249.000000 39994249.000000 39994249.000000 1.018054 1.015236 1.020261 1.023939 + 5392.520861 24999340.000000 10756569.000000 46985.000000 374.000000 108812.000000 95188.000000 110000.000000 146003.000000 74989.000000 62870.000000 72330.000000 97288.000000 110.000000 386.000000 318.000000 344.000000 39994184.000000 39994184.000000 39994184.000000 39994184.000000 1.018059 1.015295 1.020431 1.023963 + 5395.020625 24999507.000000 10678062.000000 46936.000000 373.000000 107862.000000 94656.000000 108933.000000 145383.000000 74337.000000 62993.000000 71506.000000 96609.000000 115.000000 403.000000 319.000000 353.000000 39994451.000000 39994451.000000 39994451.000000 39994451.000000 1.017910 1.015213 1.020235 1.023865 + 5397.521063 24999406.000000 10633347.000000 46999.000000 373.000000 107612.000000 94202.000000 108591.000000 144218.000000 74312.000000 62519.000000 71172.000000 95900.000000 118.000000 413.000000 301.000000 383.000000 39994289.000000 39994289.000000 39994289.000000 39994289.000000 1.017865 1.015138 1.020168 1.023672 + 5400.022173 24999370.000000 10708995.000000 46988.000000 374.000000 107753.000000 95208.000000 109088.000000 146207.000000 74298.000000 62967.000000 71845.000000 97190.000000 105.000000 406.000000 305.000000 402.000000 39994232.000000 39994232.000000 39994232.000000 39994232.000000 1.017898 1.015301 1.020264 1.024001 + 5402.521210 24999345.000000 10621658.000000 46984.000000 373.000000 107113.000000 93896.000000 107877.000000 144615.000000 73842.000000 62317.000000 70616.000000 96198.000000 120.000000 408.000000 309.000000 333.000000 39994191.000000 39994191.000000 39994191.000000 39994191.000000 1.017781 1.015087 1.020034 1.023731 + 5405.020911 24999550.000000 10710212.000000 46990.000000 374.000000 108130.000000 94171.000000 108799.000000 145098.000000 74346.000000 62431.000000 71413.000000 96231.000000 126.000000 422.000000 295.000000 358.000000 39994519.000000 39994519.000000 39994519.000000 39994519.000000 1.017952 1.015135 1.020210 1.023817 + 5407.520357 24999327.000000 10591180.000000 46949.000000 373.000000 107230.000000 94159.000000 107898.000000 144141.000000 74065.000000 62519.000000 70879.000000 95761.000000 130.000000 395.000000 293.000000 375.000000 39994163.000000 39994163.000000 39994163.000000 39994163.000000 1.017800 1.015129 1.020039 1.023655 + 5410.019544 24999388.000000 10626119.000000 46925.000000 374.000000 107090.000000 93787.000000 108732.000000 144616.000000 73680.000000 62217.000000 71034.000000 95653.000000 135.000000 403.000000 311.000000 361.000000 39994260.000000 39994260.000000 39994260.000000 39994260.000000 1.017783 1.015072 1.020195 1.023736 + 5412.521221 24999375.000000 10665179.000000 46872.000000 373.000000 107937.000000 94260.000000 108598.000000 144919.000000 74466.000000 62570.000000 71449.000000 96556.000000 115.000000 414.000000 277.000000 346.000000 39994239.000000 39994239.000000 39994239.000000 39994239.000000 1.017922 1.015150 1.020173 1.023791 + 5415.021715 24999484.000000 10614197.000000 46864.000000 374.000000 107158.000000 93852.000000 107962.000000 144087.000000 73899.000000 62233.000000 70670.000000 95879.000000 143.000000 403.000000 303.000000 371.000000 39994413.000000 39994413.000000 39994413.000000 39994413.000000 1.017792 1.015082 1.020051 1.023652 + 5417.522860 24999369.000000 10666652.000000 46913.000000 373.000000 108456.000000 94481.000000 108442.000000 145646.000000 74522.000000 62542.000000 71162.000000 96911.000000 136.000000 427.000000 316.000000 395.000000 39994230.000000 39994230.000000 39994230.000000 39994230.000000 1.018024 1.015194 1.020153 1.023930 + 5420.023732 24999760.000000 10680061.000000 47039.000000 374.000000 107784.000000 94557.000000 108910.000000 145083.000000 74200.000000 62927.000000 71377.000000 96143.000000 126.000000 439.000000 301.000000 369.000000 39994855.000000 39994855.000000 39994855.000000 39994855.000000 1.017897 1.015195 1.020229 1.023815 + 5422.521563 24999070.000000 10614067.000000 46960.000000 373.000000 107263.000000 93932.000000 108276.000000 144378.000000 73871.000000 62278.000000 70948.000000 95619.000000 126.000000 387.000000 290.000000 396.000000 39993752.000000 39993752.000000 39993752.000000 39993752.000000 1.017816 1.015098 1.020113 1.023704 + 5425.020952 24999513.000000 10474859.000000 47003.000000 374.000000 105693.000000 93044.000000 106717.000000 143092.000000 72706.000000 61772.000000 69999.000000 94995.000000 130.000000 389.000000 329.000000 389.000000 39994461.000000 39994461.000000 39994461.000000 39994461.000000 1.017551 1.014951 1.019819 1.023482 + 5427.521900 24999712.000000 10521702.000000 46975.000000 373.000000 106585.000000 93124.000000 107625.000000 143569.000000 73219.000000 61804.000000 71092.000000 95333.000000 131.000000 401.000000 312.000000 362.000000 39994778.000000 39994778.000000 39994778.000000 39994778.000000 1.017703 1.014968 1.019991 1.023570 + 5430.019786 24998986.000000 10478729.000000 47005.000000 374.000000 106054.000000 93001.000000 106766.000000 143064.000000 72755.000000 61307.000000 70158.000000 95408.000000 140.000000 426.000000 333.000000 359.000000 39993617.000000 39993617.000000 39993617.000000 39993617.000000 1.017609 1.014944 1.019827 1.023477 + 5432.520148 24999807.000000 10341252.000000 46943.000000 373.000000 104609.000000 91491.000000 105064.000000 141354.000000 72279.000000 60461.000000 69055.000000 94176.000000 122.000000 436.000000 333.000000 376.000000 39994931.000000 39994931.000000 39994931.000000 39994931.000000 1.017365 1.014701 1.019508 1.023190 + 5435.022063 24999058.000000 10343427.000000 47000.000000 374.000000 103911.000000 91315.000000 105695.000000 140154.000000 71397.000000 60562.000000 69537.000000 93296.000000 146.000000 409.000000 307.000000 376.000000 39993732.000000 39993732.000000 39993732.000000 39993732.000000 1.017245 1.014668 1.019618 1.022989 + 5437.522753 24999388.000000 10282355.000000 46897.000000 373.000000 104152.000000 90958.000000 104960.000000 139480.000000 71564.000000 60218.000000 68937.000000 92500.000000 153.000000 380.000000 344.000000 406.000000 39994260.000000 39994260.000000 39994260.000000 39994260.000000 1.017283 1.014611 1.019483 1.022882 + 5440.023137 24999363.000000 10300340.000000 46989.000000 374.000000 104704.000000 91614.000000 105137.000000 140511.000000 72082.000000 60576.000000 69074.000000 93387.000000 159.000000 452.000000 329.000000 410.000000 39994220.000000 39994220.000000 39994220.000000 39994220.000000 1.017381 1.014720 1.019520 1.023057 + 5442.522281 24999484.000000 10342589.000000 46944.000000 373.000000 104772.000000 92103.000000 105509.000000 140598.000000 72351.000000 61178.000000 69292.000000 93308.000000 157.000000 436.000000 362.000000 409.000000 39994414.000000 39994414.000000 39994414.000000 39994414.000000 1.017389 1.014794 1.019587 1.023062 + 5445.022968 24999453.000000 10262306.000000 47013.000000 374.000000 104033.000000 91524.000000 105495.000000 140148.000000 71624.000000 60460.000000 69535.000000 93086.000000 188.000000 454.000000 311.000000 405.000000 39994364.000000 39994364.000000 39994364.000000 39994364.000000 1.017263 1.014700 1.019581 1.022986 + 5447.523337 24999370.000000 10211931.000000 46980.000000 373.000000 103715.000000 90635.000000 104422.000000 139589.000000 71454.000000 59760.000000 68619.000000 92746.000000 174.000000 464.000000 367.000000 438.000000 39994231.000000 39994231.000000 39994231.000000 39994231.000000 1.017217 1.014561 1.019385 1.022899 + 5450.022451 24999292.000000 10049755.000000 46964.000000 374.000000 101561.000000 89337.000000 102383.000000 137182.000000 69782.000000 59204.000000 67203.000000 91269.000000 211.000000 487.000000 379.000000 436.000000 39994107.000000 39994107.000000 39994107.000000 39994107.000000 1.016854 1.014348 1.018999 1.022493 + 5452.375771 24999471.000000 10093213.000000 46984.000000 373.000000 102301.000000 89239.000000 103028.000000 137642.000000 70233.000000 58981.000000 67679.000000 91509.000000 234.000000 475.000000 389.000000 479.000000 39994393.000000 39994393.000000 39994393.000000 39994393.000000 1.016977 1.014335 1.019121 1.022573 + 5454.139630 24999616.000000 10068607.000000 47032.000000 373.000000 102067.000000 89840.000000 103179.000000 138568.000000 70040.000000 59452.000000 67612.000000 92273.000000 238.000000 455.000000 387.000000 474.000000 39994625.000000 39994625.000000 39994625.000000 39994625.000000 1.016936 1.014427 1.019147 1.022714 + 5455.024354 24999243.000000 10053840.000000 46981.000000 374.000000 102439.000000 90045.000000 103094.000000 137395.000000 70790.000000 59488.000000 67653.000000 91695.000000 265.000000 487.000000 406.000000 523.000000 39994029.000000 39994029.000000 39994029.000000 39994029.000000 1.016999 1.014461 1.019132 1.022533 + 5455.325865 24999376.000000 10139910.000000 46974.000000 373.000000 102612.000000 89690.000000 103706.000000 138739.000000 70550.000000 59408.000000 68196.000000 92014.000000 255.000000 482.000000 433.000000 539.000000 39994241.000000 39994241.000000 39994241.000000 39994241.000000 1.017030 1.014407 1.019248 1.022753 + 5455.478968 24999423.000000 10224169.000000 46965.000000 374.000000 103748.000000 90364.000000 104907.000000 140243.000000 71384.000000 59698.000000 68544.000000 93172.000000 294.000000 494.000000 444.000000 503.000000 39994316.000000 39994316.000000 39994316.000000 39994316.000000 1.017216 1.014515 1.019470 1.022995 + 5455.628346 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7457939.000000 46685.000000 374.000000 97361.000000 85369.000000 96775.000000 129750.000000 49847.000000 41889.000000 47888.000000 64749.000000 17089.000000 15037.000000 16574.000000 20804.000000 39994395.000000 39994395.000000 39994395.000000 39994395.000000 1.016252 1.013764 1.018003 1.021381 + 5732.594262 24999309.000000 7535952.000000 46746.000000 375.000000 97827.000000 86508.000000 98187.000000 130269.000000 50334.000000 42868.000000 48460.000000 65119.000000 16864.000000 15097.000000 17056.000000 20684.000000 39994134.000000 39994134.000000 39994134.000000 39994134.000000 1.016325 1.013943 1.018265 1.021463 diff --git a/conversion_examples/MultiElementFluor/V_XANES_ap9_new.001 b/conversion_examples/MultiElementFluor/V_XANES_ap9_new.001 new file mode 100644 index 0000000..e102fc2 --- /dev/null +++ b/conversion_examples/MultiElementFluor/V_XANES_ap9_new.001 @@ -0,0 +1,460 @@ +# XDI/1.1 +# Column.1: energy eV +# Column.2: norm +# Column.3: ifluor +# Column.4: i0 +# Column.5: tscaler +# Column.6: i1 +# Column.7: i2 +# Column.8: outputcounts_mca1 +# Column.9: outputcounts_mca2 +# Column.10: outputcounts_mca3 +# Column.11: outputcounts_mca4 +# Column.12: ca_ka_mca1 +# Column.13: ca_ka_mca2 +# Column.14: ca_ka_mca3 +# Column.15: ca_ka_mca4 +# Column.16: v_ka_mca1 +# Column.17: v_ka_mca2 +# Column.18: v_ka_mca3 +# Column.19: v_ka_mca4 +# Column.20: clock_mca1 +# Column.21: clock_mca2 +# Column.22: clock_mca3 +# Column.23: clock_mca4 +# Column.24: dtfactor_mca1 +# Column.25: dtfactor_mca2 +# Column.26: dtfactor_mca3 +# Column.27: dtfactor_mca4 +# Legend.End: here +# Scan.end_time: 2018-11-27 07:31:19 +# ExtraPVs.Start: Family.Member: Value | PV +# Beamline.FOE_Slit_HPos: 0.0250 || 13IDA:m5.VAL +# Beamline.FOE_Slit_HWid: 0.8000 || 13IDA:m6.VAL +# Beamline.FOE_Slit_VPos: -0.1250 || 13IDA:m7.VAL +# Beamline.FOE_Slit_VWid: 0.2500 || 13IDA:m8.VAL +# Beamline.FluxEstimate: 1.416e+12 || 13XRM:ION:FluxOut.VAL +# Beamline.I0_Sensitivity_Number: 100 || 13IDE:A1sens_num.VAL +# Beamline.I0_Sensitivity_Unit: nA/V || 13IDE:A1sens_unit.VAL +# Beamline.I1_Sensitivity_Number: 200 || 13IDE:A2sens_num.VAL +# Beamline.I1_Sensitivity_Unit: nA/V || 13IDE:A2sens_unit.VAL +# Beamline.I2_Sensitivity_Number: 20 || 13IDE:A3sens_num.VAL +# Beamline.I2_Sensitivity_Unit: nA/V || 13IDE:A3sens_unit.VAL +# Beamline.SSA_Slit_HPos: 0 || 13IDA:m69.VAL +# Beamline.SSA_Slit_HWid: 0.0500 || 13IDA:m70.VAL +# Beamline.SSA_Slit_VPos: 0.7500 || 13IDA:m71.VAL +# Beamline.SSA_Slit_VWid: 0.3000 || 13IDA:m72.VAL +# DetectorStage.X: 15380.0 || 13IDE:m34.VAL +# DetectorStage.Y: 291.740 || 13IDE:m4.VAL +# DetectorStage.Z: 125.0000 || 13IDE:m19.VAL +# Facility.Ring_Current: 86.6 || S:SRcurrentAI.VAL +# Facility.Ring_Lifetime: 81.3 || S:SRlifeTimeHrsCC.VAL +# Monochromator.d_spacing: 3.13477 || 13IDE:En:dspace.VAL +# Monochromator.height: 24.90000 || 13IDE:En:height.VAL +# Monochromator.theta_offset: 17.54913 || 13IDA:m65.OFF +# Monochromator.xtal2_pitch: -0.1160 || 13IDA:m67.VAL +# Monochromator.xtal2_rol: 1.0400 || 13IDA:m68.VAL +# Monochromator.xtal2_y: 13.3075 || 13IDA:m66.VAL +# Monochromator.xtal2_y_off: 11.6000 || 13IDA:m66.OFF +# SampleStage.CoarseX: 130.7285 || 13XRM:m4.VAL +# SampleStage.CoarseY: 89.3002 || 13XRM:m5.VAL +# SampleStage.CoarseZ: 211.0609 || 13XRM:m6.VAL +# SampleStage.FineX: -0.42001 || 13XRM:m1.VAL +# SampleStage.FineY: -0.02400 || 13XRM:m2.VAL +# SampleStage.Theta: 0 || 13XRM:m3.VAL +# Undulator.Energy: 5.764 || ID13us:Energy.VAL +# Monochromator.Energy: 5600.00000 || 13IDE:En:Energy.VAL +# ExtraPVs.End: here +# ScanParameters.Start: Scan.Member: Value +# ScanParameters.ScanType: xafs +# ScanParameters.element: V +# ScanParameters.edge: K +# ScanParameters.E0: 5465.000 +# ScanParameters.Legend: Start, Stop, Step, K-space, Time +# ScanParameters.Region1: -100.000, -10.000, 2.500 False 0.50 +# ScanParameters.Region2: -10.000, 25.008, 0.150 False 0.50 +# ScanParameters.Region3: 2.562, 8.500, 0.060 True 0.50 +# ScanParameters.End: here +# Process.program: xraylarch +# Process.version: 0.9.80 +# Process.command: pre_edge(data, nvict=0, pre1=-150, pre2=-50, norm1=150, norm2=750, make_flat=True) +# Process.step1: using col1..col27 for 27 from arrays in rawdata +# Process.step2: energy = col1 # column 1: energy (eV) +# Process.step3: i0 = col4 # column 4: incident beam intensity +# Process.step4: # fluorescence: sum 4 channels, with deadtime corection from columns in the data +# Process.step5: ifluor = col16*col24+col17*col25+col18*col26+col19*col27 +# Process.step6: mu = iflour/i0 +# Process.step7: edge_step = 0.010570733 +# Process.step8: pre_edge = -0.001085008 + 2.218800e-7*energy +# Process.step9: intensity = norm = (mu - pre_edge) /edge_step +# /// Users Comments /// +# +#--------------------------------- +# energy norm ifluor i0 tscaler i1 i2 outputcounts_mca1 outputcounts_mca2 outputcounts_mca3 outputcounts_mca4 ca_ka_mca1 ca_ka_mca2 ca_ka_mca3 ca_ka_mca4 v_ka_mca1 v_ka_mca2 v_ka_mca3 v_ka_mca4 clock_mca1 clock_mca2 clock_mca3 clock_mca4 dtfactor_mca1 dtfactor_mca2 dtfactor_mca3 dtfactor_mca4 + 5365.01803700 0.00040891402 1163.87957000 10609159.0000 24999532.0000 47066.0000000 374.000000000 106819.000000 92809.0000000 107424.000000 143706.000000 73381.0000000 61805.0000000 70972.0000000 95226.0000000 110.000000000 388.000000000 287.000000000 357.000000000 39994491.0000 39994491.0000 39994491.0000 39994491.0000 1.01772900000 1.01491300000 1.01994800000 1.02358000000 + 5367.51382100 -0.00030371850 1072.90868800 10444385.0000 24999358.0000 46987.0000000 373.000000000 105315.000000 91379.0000000 106112.000000 141275.000000 72553.0000000 60883.0000000 69759.0000000 94181.0000000 94.0000000000 357.000000000 268.000000000 334.000000000 39994213.0000 39994213.0000 39994213.0000 39994213.0000 1.01748200000 1.01468400000 1.01970300000 1.02318200000 + 5370.01572200 -0.00009812144 1080.74098500 10248428.0000 24999369.0000 46865.0000000 374.000000000 103317.000000 90684.0000000 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1.02337400000 + 5377.51843500 -0.00006219215 1127.99402800 10493083.0000 24999388.0000 46999.0000000 373.000000000 106165.000000 92388.0000000 106912.000000 142636.000000 73276.0000000 61352.0000000 70418.0000000 94831.0000000 102.000000000 383.000000000 296.000000000 326.000000000 39994260.0000 39994260.0000 39994260.0000 39994260.0000 1.01762600000 1.01484800000 1.01985500000 1.02341200000 + 5380.01953400 0.00008837166 1155.47442000 10538291.0000 24999634.0000 46927.0000000 374.000000000 106206.000000 92528.0000000 107400.000000 143313.000000 72906.0000000 61439.0000000 70414.0000000 95323.0000000 102.000000000 404.000000000 309.000000000 319.000000000 39994654.0000 39994654.0000 39994654.0000 39994654.0000 1.01763800000 1.01487100000 1.01994700000 1.02352300000 + 5382.51951500 -0.00014143509 1148.85238200 10660145.0000 24998985.0000 46909.0000000 373.000000000 107104.000000 94518.0000000 108222.000000 145271.000000 73793.0000000 62664.0000000 71036.0000000 96756.0000000 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39994451.0000 39994451.0000 1.01791000000 1.01521300000 1.02023500000 1.02386500000 + 5397.52106300 0.00036690972 1238.49700800 10633347.0000 24999406.0000 46999.0000000 373.000000000 107612.000000 94202.0000000 108591.000000 144218.000000 74312.0000000 62519.0000000 71172.0000000 95900.0000000 118.000000000 413.000000000 301.000000000 383.000000000 39994289.0000 39994289.0000 39994289.0000 39994289.0000 1.01786500000 1.01513800000 1.02016800000 1.02367200000 + 5400.02217300 0.00026681910 1241.92041800 10708995.0000 24999370.0000 46988.0000000 374.000000000 107753.000000 95208.0000000 109088.000000 146207.000000 74298.0000000 62967.0000000 71845.0000000 97190.0000000 105.000000000 406.000000000 305.000000000 402.000000000 39994232.0000 39994232.0000 39994232.0000 39994232.0000 1.01789800000 1.01530100000 1.02026400000 1.02400100000 + 5402.52121000 -0.00013663566 1192.38214500 10621658.0000 24999345.0000 46984.0000000 373.000000000 107113.000000 93896.0000000 107877.000000 144615.000000 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0.00006600806 1233.32406200 10626119.0000 24999388.0000 46925.0000000 374.000000000 107090.000000 93787.0000000 108732.000000 144616.000000 73680.0000000 62217.0000000 71034.0000000 95653.0000000 135.000000000 403.000000000 311.000000000 361.000000000 39994260.0000 39994260.0000 39994260.0000 39994260.0000 1.01778300000 1.01507200000 1.02019500000 1.02373600000 + 5412.52122100 -0.00055156820 1174.15273700 10665179.0000 24999375.0000 46872.0000000 373.000000000 107937.000000 94260.0000000 108598.000000 144919.000000 74466.0000000 62570.0000000 71449.0000000 96556.0000000 115.000000000 414.000000000 277.000000000 346.000000000 39994239.0000 39994239.0000 39994239.0000 39994239.0000 1.01792200000 1.01515000000 1.02017300000 1.02379100000 + 5415.02171500 0.00006379605 1243.47264700 10614197.0000 24999484.0000 46864.0000000 374.000000000 107158.000000 93852.0000000 107962.000000 144087.000000 73899.0000000 62233.0000000 70670.0000000 95879.0000000 143.000000000 403.000000000 303.000000000 371.000000000 39994413.0000 39994413.0000 39994413.0000 39994413.0000 1.01779200000 1.01508200000 1.02005100000 1.02365200000 + 5417.52286000 0.00044712903 1298.75980000 10666652.0000 24999369.0000 46913.0000000 373.000000000 108456.000000 94481.0000000 108442.000000 145646.000000 74522.0000000 62542.0000000 71162.0000000 96911.0000000 136.000000000 427.000000000 316.000000000 395.000000000 39994230.0000 39994230.0000 39994230.0000 39994230.0000 1.01802400000 1.01519400000 1.02015300000 1.02393000000 + 5420.02373200 0.00002624219 1258.80229100 10680061.0000 24999760.0000 47039.0000000 374.000000000 107784.000000 94557.0000000 108910.000000 145083.000000 74200.0000000 62927.0000000 71377.0000000 96143.0000000 126.000000000 439.000000000 301.000000000 369.000000000 39994855.0000 39994855.0000 39994855.0000 39994855.0000 1.01789700000 1.01519500000 1.02022900000 1.02381500000 + 5422.52156300 -0.00028213231 1222.30729600 10614067.0000 24999070.0000 46960.0000000 373.000000000 107263.000000 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literal 0 HcmV?d00001 diff --git a/conversion_examples/MultiElementFluor/make_xas.py b/conversion_examples/MultiElementFluor/make_xas.py new file mode 100644 index 0000000..145346e --- /dev/null +++ b/conversion_examples/MultiElementFluor/make_xas.py @@ -0,0 +1,290 @@ +from nexusformat import nexus +from pathlib import Path +import h5py +import json +import numpy as np +from larch.xafs import pre_edge +from larch.io import read_xdi, read_ascii, write_ascii +from larch.utils import gformat + +def xdi2nexus(filename, nxroot, entry_name='entry', + nchans=4, chan1=14, icr1=None, ocr1=None, + data_mode='fluorescence', metadata=None): + + asc = read_ascii(filename) + dat = read_xdi(filename) + filename = Path(filename).name + + meta = {} + for kf, vf in dat.attrs.items(): + meta[kf.lower()] = {} + for k, v in vf.items(): + meta[kf.lower()][k.lower()] = v + + if metadata is not None: + for kf, vf in metadata.items(): + if kf not in meta: + meta[kf.lower()] = {} + for k, v in vf.items(): + meta[kf.lower()][k.lower()] = v + + dat.energy = dat.Energy*1.0 + dat.i0 = dat.I0*1.0 + + dat.ifluor = dat.i0 * 0.0 + fluor_str = [] + + for ichan in range(nchans): + c = 1.0*dat.data[ichan+chan1-1,:] + s = f'col{ichan+chan1+2}' + if icr1 is not None: + c *= dat.data[ichan+icr1-1,:] + s = f'{s}*col{ichan+icr1+2}' + if ocr1 is not None: + c /= dat.data[ichan+ocr1-1,:] + s = f'{s}/col{ichan+ocr1+2}' + dat.ifluor += c + fluor_str.append(s) + fluor_str = '+'.join(fluor_str) + + print(fluor_str) + + + dat.mu = dat.ifluor / dat.i0 + ncolumns = len(dat.array_labels) + 3 + + pre_edge(dat, pre1=-150, pre2=-50, norm1=150, norm2=750) + pre_offset = dat.pre_edge_details.pre_offset + pre_slope = dat.pre_edge_details.pre_slope + nvict = dat.pre_edge_details.nvict + + coldata = [] + coldata.append(dat.energy) + coldata.append(dat.norm*1.0) + coldata.append(dat.ifluor*1.0) + coldata.append(dat.i0*1.0) + + array_labels = ['energy', 'intensity', 'ifluor', 'i0'] + ndat, npts = dat.data.shape + for i in range(ndat): + label = dat.array_labels[i].lower() + if label not in array_labels: + array_labels.append(label) + coldata.append(dat.data[i, :]) + + root = nxroot[entry_name] = nexus.NXentry() + + root['definition'] = 'NXxas' + root['mode'] = 'fluorescence' + root['element'] = meta['element']['symbol'] + root['absorption_edge'] = meta['element']['edge'] + root['energy'] = dat.energy + root['energy'].attrs['units'] = 'eV' + root['intensity'] = dat.norm + root.attrs['default'] = 'plot' + + plot = root['plot'] = nexus.NXdata() + plot['energy'] = root['energy'] + plot['intensity'] = root['intensity'] + plot.attrs['signal'] = 'intensity' + plot.attrs['axes'] = 'energy' + plot['energy'].attrs['units'] = 'eV' + plot['energy'].attrs['long_name'] = 'Energy (eV)' + plot['intensity'].attrs['long_name'] = 'Normalized mu(E)' + + + names = {} + # sample + sample = root['sample'] = nexus.NXsample() + for aname, value in meta['sample'].items(): + setattr(sample, aname, value) + if aname.lower() == 'name': + names['sample'] = value + sample['prep'] = 'unknown sample' + + + # process + kwargs = [] + for k, v in dat.callargs.pre_edge.items(): + if v is not None: + kwargs.append(f"{k}={v}") + + kwargs = ", ".join(kwargs) + + preline = f"pre_edge = {gformat(pre_offset, 12)} + {gformat(pre_slope, 12)}*energy" + if nvict != 0: + preline = f"({preline})*energy(-{dat.nvict})" + + dtc = "no deadtime correction with file" + if icr1 is not None or ocr1 is not None: + dtc = "with deadtime corection from columns in the data" + nd = len(coldata) + proc = ["processing done with xraylarch version 0.9.80", + f" larch.xafs.pre_edge(data, {kwargs})", + f"using col1..col{nd} for {nd} from arrays in rawdata", + "energy = col1 # column 1: energy (eV)", + "i0 = col4 # column 4: incident beam intensity", + f"# fluorescence: sum {nchans} channels, {dtc}", + f"ifluor = {fluor_str}", + "mu = iflour/i0 ", + f"edge_step = {gformat(dat.edge_step, 12)}", + preline, + "intensity = norm = (mu - pre_edge) /edge_step"] + + notes='\n'.join(proc) + + header = ['XDI/1.1', + 'Column.1: energy eV', 'Column.2: norm'] + collabel = ['energy', 'norm'] + for i, label in enumerate(array_labels[2:]): + header.append(f'Column.{i+3}: {label}') + collabel.append(label) + collabel = ' '.join(collabel) + + end_header = [] + target = header + for j in asc.header[4:]: + if j.startswith('#'): j = j[1:].strip() + if '---' in j: + break + if '///' in j: + target = end_header + if j.startswith('Mono.'): + j = j.replace('Mono.', 'Monochromator.') + if 'Monochromator.dspa' in j: + j = j.replace('dspacing', 'd_spacing') + + if not j.startswith('Column.'): + target.append(j) + + header.append('Process.program: xraylarch') + header.append('Process.version: 0.9.80') + header.append(f'Process.command: pre_edge(data, {kwargs})') + for i, p in enumerate(proc[2:]): + header.append(f"Process.step{i+1:d}: {p}") + for j in end_header: + if j.startswith('#'): + j = j[1:].strip() + header.append(j) + + root['process'] = nexus.NXprocess(program='xraylarch', version='0.9.80', + notes=notes) + + # rawdata + root['rawdata'] = np.array(coldata) + root['rawdata'].attrs['column_labels'] = json.dumps(array_labels) + root['rawdata'].attrs['data_collector'] = 'Matthew Newville' + root['rawdata'].attrs['filename'] = filename + + + # scan + scan = root['scan'] = nexus.NXcollection() + scan.headers = json.dumps(meta) + + for key, val in meta['scan'].items(): + setattr(scan, key, val) + if getattr(dat, 'comments', None) is not None: + scan.comments = dat.comments + + + inst = root['instrument'] = nexus.NXinstrument() + + source = inst['source'] = nexus.NXsource(type='Synchrotron X-ray Source', + probe='x-ray') + + if 'facility' in meta: + for aname, value in meta['facility'].items(): + if aname.lower() == 'energy': + words = value.split(maxsplit=1) + en_value = float(words[0]) + source.energy = en_value + if len(words) > 1: + source.energy.attrs['units'] = words[1] + else: + setattr(source, aname, value) + if aname.lower() == 'name': + names['facility'] = value + + bl = inst['beamline'] = nexus.NXcollection() + for aname, value in meta['beamline'].items(): + setattr(bl, aname, value) + if aname.lower() == 'name': + names['beamline'] = value + + + title_words = [names.get('sample', filename), + names.get('facility', ''), + names.get('beamline', '')] + root['title'] = (' '.join(title_words)).strip() + + + # mono + mono_meta = meta.get('monochromator', meta.get('mono', {})) + d_spacing = mono_meta.get('d_spacing', 3.14770) + mono_name = mono_meta.get('name', 'Si 111') + + def parse_mono_string(mono_name): + mono_type = 'Si' + for k in ('()[]'): + mono_name = mono_name.replace(k, ' ') + for k in ('SiC', 'Si', 'Ge', 'C'): + mono_name = mono_name.replace(k, f'{k} ') + + words = mono_name.split(maxsplit=1) + if words[0] in ('SiC', 'Si', 'Ge', 'C'): + mono_type = words[0] + + try: + refl = words[1] + if len(refl) > 3: + refl = refl.replace(' ', ',').split(',') + else: + refl = (refl[0], refl[1], refl[2]) + + refl = [int(w.strip()) for w in refl] + except: + refl = (1, 1, 1) + return mono_type, refl + + mono_type, refl = parse_mono_string(mono_name) + mono_crystal = nexus.NXcrystal(type=mono_type, + reflection=np.array(refl), + d_spacing=d_spacing) + + inst['monochromator'] = nexus.NXmonochromator(energy=root['energy'], + crystal=mono_crystal) + + + inst['i0'] = nexus.NXdetector(data=dat.i0, description='Ion Chamber') + inst['ifluor'] = nexus.NXdetector(data=dat.ifluor, description='ME-4 Fluorescence Detector') + + fpath = Path(filename) + outfile = fpath.stem + '_new' + fpath.suffix + + write_ascii(outfile, *coldata, header=header, label =collabel) + + print(f"done. Wrote group {entry_name} and file {outfile}") + + +################ + +metadata = {'sample': {'name': 'apophyllite'}, + 'element': {'symbol': 'V', 'edge': 'K'}, + 'mono': {'crystal': 'Si 111', 'd_spacing': 3.13477}, + 'facility': {'name': 'APS', 'beamline': '13-ID-E'}, + 'detector': {'i0': '20 cm, He', + 'ifluor': 'Vortex ME-4'}, + } + +call_kws = dict(nchans=4, chan1=14, icr1=22, ocr1=None, metadata=metadata) + + +nxroot = nexus.nxopen('V_XANES_nexus.h5', 'w') + +for fname in ('V_XANES_ap1.001', 'V_XANES_ap2.001', 'V_XANES_ap3.001', + 'V_XANES_ap4.001', 'V_XANES_ap5.001', 'V_XANES_ap6.001', + 'V_XANES_ap7.001', 'V_XANES_ap8.001', 'V_XANES_ap9.001', + 'V_XANES_ap10.001', 'V_XANES_ap11.001', 'V_XANES_ap12.001'): + entry_name = fname.replace('.001', '') + + xdi2nexus(fname, nxroot, entry_name=entry_name, **call_kws) From 08c4210f08c8832697503f3e912d9da009b9e72f Mon Sep 17 00:00:00 2001 From: Matthew Newville Date: Wed, 24 Jul 2024 09:26:11 -0500 Subject: [PATCH 12/13] add two more examples, update README --- conversion_examples/README | 12 +++++++++++- 1 file changed, 11 insertions(+), 1 deletion(-) diff --git a/conversion_examples/README b/conversion_examples/README index 558336a..9370104 100644 --- a/conversion_examples/README +++ b/conversion_examples/README @@ -26,4 +26,14 @@ Folders and Files (so far): ============================= Fe_XDIFiles: 3 XDI files (all Fe K edge, transmsission XAFS) - put into a single nexus file. + are put into a single nexus file. + +MultiElementFluor: 12 data files (XDI-ish) for V K-edge fluoresence XAFS + using a 4-element detector. The original files have columns saved + for "V Ka" and a "Deadtime Correction Factor" for MCAs 1 through 4. + The script sums the deadtime-corrected chanbels to make "ifluor". + V_XANES_nexus.h5 + + +KEK_PF: 1 data file from Photon Factory, KEK. Fluorescence XAFS, + recorded as a function of angle From 8f771b8f1b476dbfbeb461f5f4ad2422a83916bc Mon Sep 17 00:00:00 2001 From: Matthew Newville Date: Wed, 24 Jul 2024 09:39:19 -0500 Subject: [PATCH 13/13] update README --- conversion_examples/README | 50 +++++++++++++++++++++++--------------- 1 file changed, 31 insertions(+), 19 deletions(-) diff --git a/conversion_examples/README b/conversion_examples/README index 9370104..dc214e0 100644 --- a/conversion_examples/README +++ b/conversion_examples/README @@ -1,5 +1,11 @@ -These examples are essentially built by hand as proof-of-principle -and as points of discussion to drive the pynxxas and NXxas definition. +These examples ilustrate early attempts to convert "raw" or "as collected" beamline data +into HDF5/NeXuS NXxas groups, and also into "new style" XDI files that map directly to +the NXxas groups. + +There files here are essentially built "by hand", using a "make_xas.py" script +in each folder. This is meant to be a proof-of-principle, and to allow for +discussion about these formats. These examples are also meant to drive the +development of pynxxas and NXxas definition. For all datasets: @@ -8,32 +14,38 @@ For all datasets: done with xraylarch, but in a way (linear pre-edge, constant edge step), that it should be easy to reproduce. -2. "New" XDI files are written to very, very closely match the NXxas Groups. - -3. The group "rawdata" holds the "original" column data. It also - includes (in column 2, the "intensity"/"normalized mu(E)" so that - the data shape is identical to the new XDI file +2. "energy" is strictly in eV. +3. "New" XDI files are written to very, very closely match the NXxas Groups, + though they do not have the full range of "hierarchy" or automated setting + of attributes. An important goal is that data can be converted between these + two forms without any loss of data or important metadata. -The scripts are pretty "hacky" and not meant for real use in pynnxas, but more -of a guide. My intention is to *not* rely on larch, but to port code to -robustly read text files, and do basic processing (including pre-edge -subtraction and normalization) into pynxxas. - +4. The group "rawdata" holds a 2-d array (Ncolumns, Nenergy) with all data that + maps to the columns of data from the original data file. Usually, these will + be identical to the original data. But note that some files (Fe_XDIFiles) + had "mufluor" as a column, and the new files have converted these to + "ifluor": The rawdata also includes (in column 2) the "intensity" or + "normalized mu(E)". That is, the data shape is identical to the output + XDI file. +The "make_xas.py" scripts are not very sophisticated and are not meant for real +use in pynnxas, but more of a guide of what operations and steps to do. Also, +the intention is to *not* rely on xraylarch, but to port code to robustly read +text files, and do basic processing (including pre-edge subtraction and +normalization) into pynxxas. Folders and Files (so far): ============================= -Fe_XDIFiles: 3 XDI files (all Fe K edge, transmsission XAFS) +Fe_XDIFiles: 3 XDI files (all Fe K edge, transmission XAFS) are put into a single nexus file. -MultiElementFluor: 12 data files (XDI-ish) for V K-edge fluoresence XAFS +KEK_PF: 1 data file from Photon Factory, KEK. Fluorescence XAFS, + that was recorded as a function of angle + +MultiElementFluor: 12 data files (XDI-ish) for V K-edge fluorescence XAFS using a 4-element detector. The original files have columns saved - for "V Ka" and a "Deadtime Correction Factor" for MCAs 1 through 4. + for "V Ka" and a "Dead-time Correction Factor" for MCAs 1 through 4. The script sums the deadtime-corrected chanbels to make "ifluor". V_XANES_nexus.h5 - - -KEK_PF: 1 data file from Photon Factory, KEK. Fluorescence XAFS, - recorded as a function of angle