Releases: xraypy/xraylarch
Releases · xraypy/xraylarch
0.9.59
[0.9.59 - 2022-04-01]
Added
- Reading files from FDMNES.
- XAS Viewer allows reading in a reference spectrum from the same file as a spectrum.
- XAS_Viewer better supports each spectrum having an "energy reference spectrum". This
can be set on reading spectra, or afterward. Recalibrating energies can propagate
calibrations to spectra that share a reference. - XAS Viewer better supports an "energy shift" for each spectrum -- this can be copied
to other spectra or "undone" to go back to the original (as read-in) data. - XAS Viewer: data can be deglitched while plotting in "k" space"
- XAS Viewer: "flattened" spectra can be used for linear analysis in more places.
- Example using Jupyter and Fe pre-edge peaks.
Changed
- XAS Viewer: the action of the "pin icon" for selecting points from a plot has now changed.
Previously hitting the pin icon meant "use most recently clicked point on plot". Now,
hitting the pin icon starts a timer which will look for mouse clicks after hitting
the pin icon:
a) if there are new mouse clicks on the plot, wait at least 3 seconds, and return
the most recent position.
b) if there are no mouse clicks after 15 seconds, return the most recent position
(even before clicking on the pin)
Fixed
- Reading columns names from one-line header, and for files that announce as XDI but
break XDI specs (say, by having >128 columns). - Better handling of CIFs with partial occupancy when generating feff.inp.
- NLEG is set to 6 by default when generating feff.inp.
- By default, hydrogen atoms are removed when generating feff.inp (XAS Viewer and cif2feff)
- Athena project files with very long journals are better supported.
- Some permission problems for the installation of Applications on MacOS have been avoided.
- "get current working directory" is now tested uniformly for permission errors.
- MapViewer: more robust and flexible search for tomographic rotation axis.
- Fix for spec/HDF5 files with broken "scan" link.
- XRF Display spectral fitting: faster, better guesses for parameter scales, and show
filled eigenvectors (wxmplot 0.9.49) - MapViewer / XRF Display: much improved ADD ROIs, including pushing XRF ROIs added in
XRF Display back to the list in Mapviewer. - MapViewer: The order of ROIs added is now preserved, including for work arrays and
Abundances from XRF analysis.
Removed
- Plugins are now completely removed
- 32-bit Windows is no longer supported: libraries and executables have been removed.
- Cromer-Libermann is more deprecated and hidden (but not completely gone, yet)
0.958
0.9.57
[0.9.57 - 2021-12-02]
Added
- Read RIXS files from BM16 at ESRF.
- Option
--devel
inGetLarch.sh
to install from source. - xas_viewer
File->Save as
Changed
- Module
rixsdata
moved fromlarch.qtrixs
tolarch.io
- Force UTF8 encoding in
read_ascii
- xas_viewer
File->Save
overwrites by default.- Better deglitching dialog, including viewing data as chi(E).
- Loading a Peak Model is now allowed at any time.
- Default Project filenames are taken from timestamp.
Fixed
- Problem with yaml load in
GetLarch.sh
- Problem in interpolation with nearly repeated x values
- Messages reporting progress when processing XRF Maps
- Reading Athena Project files with non-ASCII characters
0.9.56
0.9.55
0.9.53
[0.9.53 - 2021-07-02]
Fixed
- XAS viewer
- fixed various bugs in Spec/BLISS files importer -- silx version 0.15.2 is now required.
- "GetLarch.sh" and "GetLarch.bat" scripts now use "miniforge", should provide faster downloads and installs.
- fixed (hopefully) random Text controls events on startup on Windows.
- several small improvement feffpath and feffit functions for better managing Path Parameters with lmfit
Added
- XAS viewer
- Add GUI Browser for CIF Files from American Mineralogist Crystal Structure Database
- Code for converting CIF files to feff6/8 input files, GUI form to run Feff, organize results in users .larch/feff folder
- Feff Path Browser for import Feff.dat files from .larch/feff
- Feffit Tab added to XAS Viewer for (1 data set) Feff Fitting, with history of fits, saving of fit script.
- EXAFS Panel can show chi(q) data.