0.9.70

Improvements to XAS Viewer:

• bugfix for deglitching
• better energy calibration dialog, and several bugfixes associated with energy alignment and setting of energy references
• update dependency requirements for pyshortcuts and wxutils
• Add "Larch Updater" application/shortcut to better run automated updates.
• XAS Viewer now only informs of updates being available, and does not prompt to install them automatically.
• Add "flat+normalized" and "normalized+i0" plots, with small tweaks to flattening.
• improvements (more needed) to CIF database and reading with sqlalchemy2.
• importing data from text files and Specfiles now supports reading multiple columns into individual groups. Currently, these multiple-columns must use a shared "normalization / I0" array and will not use a logarithm: suitable for data columns that are fluorescence/emission or already mu(E) data.
• summing of channels with ICR/ORC channels and some other ways of expressing deadtime information can now be done when reading in text data files.
• the result of a Linear Combination Fit can now be inserted as a Group in the File list.

Other improvements

• improvements in FDMNES-like convolution.
• tweaks to finding E0 to improve stability with noisy data.
• XRD1D display improved in Map Viewer

0.9.69

a draft/beta release, with 0.9.70 expected as a final release within 1 week.

0.9.68

bugfixes, especially to xas_viewer

0.9.67

update version to 0.9.67

0.9.65

[0.9.65 - 2022-07-05]

Changed

• LCF: eliminate combinations with very low weight (#387)
• XAS Viewer: Add "Clear Session" menu item

Fixed

• XAS_Viewer/normalization: fix Y offset (#389)
• XAS_Viewer/normalization: avoid plotting errors for "Plot Selected" with >100 Spectra selected.
• XAS_Viewer/exafs: Make sure that E0 and Rbkg are correctly copied to other group
• XAS_Viewer/exafs: "copy to selected" now forces re-processing of selected groups.
• XAS_VIewer/session file: Importing of only selected groups from Session file now works properly.
• XAS_VIewer/session file: better merging of top-level data, especially feff cache on import.
• XAS_Viewer/Linux: better checks to avoid initialiing wx objects with 0 size.
• better docstrings for some data/io functions, starting to use autodoc in docs.
• doc: fix Angstrom rendering in HTML
• doc: work toward better XAS Viewer doc.

0.9.64

fix launching of gse_mapviewer

0.9.63

many bug fixes, large and small compared to 0.9.61 and 0.9.62

0.9.62

bugfixes:

• XAS_Viewer: Feff-fitting paths (and so also parameters) are refreshed for each fit (#377, #374)
• XAS_Viewer: most main windows are now resizable (#372)
• better checking and auto-pip-installing of wxutls and wxmplot (#376)

0.9.61

[0.9.61 - 2022-05-26]

Added

• XAS Viewer: Entries for the fit histories of pre-edge peak fitting and Feff fitting can now be erased.

Fixed

• XAS Viewer: the merging of groups now works ;).
• XAS Viewer: setting and energy shift for a group will copy that shift to other groups with the same energy reference. There is a preference setting to turn off this automated copying of energy shifts.
• XAS Viewer: fixed very slow plotting -- now just back to normal "not fast".
• XAS Viewer: dialogs have generally better sizes.
• XAS Viewer: fixes for plotting of Pre-edge peak fits.
• XAS Viewer: improvements in Journal entries for some processed groups.
• XAS Viewer: fixes for combining default and per-group configuration.

0.9.60

[0.9.60 - 2022-05-23]

Release announcement

Added

• each Group of XAFS data will have a Journal - a list of entries with (label, value, timestamp) that will be used to record processing steps. The XAFS processing functions will write the parameters they were called with to this Journal. Users can add notes as Journal entries too.

• XAS Viewer allows editing of program-wide Preferences, that set the default values and settings for the various analysis steps and program behavior.

• In many windows showing analysis results, XAS Viewer supports setting the plot window number (1 through 9) so that more than one or two plot windows can be shown at a time.

• Session-wide Project files (.larix extension) can now be saved and reloaded. These files contain essentially all the arrays for each Group of data, including Journals, processing results, and fit histories. The "processing workspaces" for pre-edge peak fitting, PCA, Linear Combinations, Regressions, and Feff fitting. These Session files can be saved/loaded by plain Python commands. When loading these into XAS Viewer, the fit histories and workspaces will be available. To allow better debugging and tracking of provenance, these Session Files include "configuration" data about the Session (python, larch version, etc) and a complete set of Larch commands for the session, though session commands are not "restored". The files are compressed and use a customized JSON encoding.

• These Session files are now auto-saved by XAS Viewer periodically (every 15 minutes of activity, by default, and rotated so that a small number (3, by default) of the most recent auto-saved files are kept. On startup, "restore the last session" is available (Ctrl-I).

Fixed

• XAS Viewer PCA fixed.
• XAS Viewer now displays how each Group was created, for example "-log(i1/i0)".
• XAS Viewer panels have more uniform energy range settings, relative to E0, per group.
• XAS Viewer has more consistent coloring and font sizes.
• XAS Viewer Quit dialog now lists the last saved Session file.
• XAS Viewer now works even harder to keep _xasgroups correct.
• pycifrw added as a dependency from conda-forge
• copying parameters from one group to another is much improved.
• rebinning of EXAFS data better avoids duplicate energies.
• a few bugs with the handling of some CIFs were improved
• Feff calculations now default to L3 edge for Z>= 60.
• Python 3.10 is better supported, Python 3.7 seems to still work.