|
|
@2762
|
7 years |
vondreele |
fix sequential peak fit display
fix window crash issue in …
|
|
|
@2761
|
7 years |
vondreele |
fix parameter bugs for reflectometry
add more substances
|
|
|
@2760
|
7 years |
vondreele |
new auto spot mask finder - works for diamond spots (not so well fro …
|
|
|
@2759
|
7 years |
vondreele |
fix problem viewing LS parameters with constraints
fix problem …
|
|
|
@2758
|
7 years |
vondreele |
implement L-BFGS-B and basinhopping (preliminary) minimizers for …
|
|
|
@2757
|
7 years |
vondreele |
workable reflectometry fitting by Levenberg-Marquart least squares.
|
|
|
@2756
|
7 years |
vondreele |
fix importer for Perkin-Elmer 4Kx4K detector
|
|
|
@2755
|
7 years |
vondreele |
extend Export HKLs for powder data to include most all columns in …
|
|
|
@2754
|
7 years |
vondreele |
fix "off-by-one" problem in powder profiles; calc missed last point - …
|
|
|
@2753
|
7 years |
vondreele |
minor shuffling about for atom constraints - no discernable impact …
|
|
|
@2752
|
7 years |
vondreele |
fix (again) a LeBail? bug on loading a new phase
|
|
|
@2751
|
7 years |
vondreele |
fix bug setting atom parms to zero.
|
|
|
@2750
|
7 years |
vondreele |
fix issues with adding new phase, forgetting to add atoms to it,
and …
|
|
|
@2749
|
7 years |
vondreele |
fix issues with HKLF reflection displays
|
|
|
@2748
|
7 years |
vondreele |
Sigh, another LeBail? fix
|
|
|
@2747
|
7 years |
vondreele |
fix problem with viewing HKLF entries
|
|
|
@2746
|
7 years |
vondreele |
fix another Lebail bug
dress up some formatting for mustrain & size …
|
|
|
@2745
|
7 years |
vondreele |
fixes to SetPhaseWindow? so scroll is over entire range of grids & …
|
|
|
@2744
|
7 years |
vondreele |
delt-G(R) cleanup
|
|
|
@2743
|
7 years |
vondreele |
more Lebail fixes
|
|
|
@2742
|
7 years |
toby |
Key on autointegration on setdist
|
|
|
@2741
|
7 years |
vondreele |
fix issues with LeBail? flags & Rietveld refinement
|
|
|
@2740
|
7 years |
vondreele |
fix issue with optimizing PDFs without Sample Bkg.
Finish implementing …
|
|
|
@2739
|
7 years |
vondreele |
comment out "other self-updating plots" - caused failures in GSASII.py …
|
|
|
@2738
|
7 years |
vondreele |
removed all "except Exception as detail" blocks from importers & …
|
|
|
@2737
|
7 years |
vondreele |
RB fix
|
|
|
@2736
|
7 years |
toby |
more unicode fixes, fix shelx END problem
|
|
|
@2735
|
7 years |
vondreele |
set default flight path = 20. in case FPATH0 missing from TOF Iparm …
|
|
|
@2734
|
7 years |
vondreele |
avoid spurious small phase data window after doing Refine. Phase data …
|
|
|
@2733
|
7 years |
toby |
fix min/max in CIF
|
|
|
@2732
|
7 years |
vondreele |
finish up LeBail? extraction option
|
|
|
@2731
|
7 years |
vondreele |
add save of stress/strain ring intensities as MRD in txt file …
|
|
|
@2730
|
7 years |
vondreele |
fix glitches when no comments or no background file
|
|
|
@2729
|
7 years |
vondreele |
add estimate of Sample Back multiplier based on exposure times & no. …
|
|
|
@2728
|
7 years |
vondreele |
disable LeBail? stuff - messed up Rietveld.
|
|
|
@2727
|
7 years |
vondreele |
fix issue with formula volume in PDF creation
block Lebail selection …
|
|
|
@2726
|
7 years |
vondreele |
fix data window resizing problem after DoRefine?
trap Pawley issues …
|
|
|
@2725
|
7 years |
vondreele |
further fix to azimuth in stress/strain intensity plot - no exact …
|
|
|
@2724
|
7 years |
vondreele |
fix stress/strain radial intensity plot - azimuth offset by ellipse …
|
|
|
@2723
|
7 years |
vondreele |
add patch for missing PolaVal? in old image gpx files
Stress/strain …
|
|
|
@2722
|
7 years |
vondreele |
finish fix of seq. results table, column formats, allow use of …
|
|
|
@2721
|
7 years |
vondreele |
fix pseudo variable issues when some vals are None
fix problem of …
|
|
|
@2720
|
7 years |
vondreele |
fix crash when plot selected but PWDR item not selected
fix seq …
|
|
|
@2719
|
7 years |
vondreele |
clean up code formatting
fix delete tree entry problem with names
add …
|
|
|
@2718
|
7 years |
vondreele |
implement LaBail? - not finished.
|
|
|
@2717
|
7 years |
vondreele |
|
|
|
@2716
|
7 years |
vondreele |
import polarization for tif files from metadata file
|
|
|
@2715
|
7 years |
vondreele |
put histogram numbers in sorted order for View LS parms
remove some …
|
|
|
@2714
|
7 years |
vondreele |
fix blunder in PDF optimizer
|
|
|
@2713
|
7 years |
vondreele |
avoid extraneous holds @ line 405 in GSASIIstrMain.py
|
|
|
@2712
|
7 years |
vondreele |
add export of G(R) in a format suitable for pdfGUI import
|
|
|
@2711
|
7 years |
vondreele |
fix sequential problem with unrefined parms in a block of histograms
|
|
|
@2710
|
7 years |
vondreele |
improve ExportPDF with G2file selector & allow selection of I(Q), …
|
|
|
@2709
|
7 years |
vondreele |
provide numbering for self.ChoiceList? in G2MultiChoiceDialog
|
|
|
@2708
|
7 years |
vondreele |
removed 'Add' fromPDF default file items
add 'Refine' for Sample Bkg …
|
|
|
@2707
|
7 years |
vondreele |
some code layout changes
rework ShowLSParms to allow selection for display
|
|
|
@2706
|
7 years |
toby |
deal with all atoms having fractional occupancies
|
|
|
@2705
|
7 years |
vondreele |
fix 'Area detector' from 'Image plate' issue.
|
|
|
@2704
|
7 years |
vondreele |
allow chemical restraints on one or more atoms (used to be 3 or more)
|
|
|
@2703
|
7 years |
vondreele |
fix problem with default Sample parms for lab data default selection
|
|
|
@2702
|
7 years |
vondreele |
fix bug in G2restrGUI
|
|
|
@2701
|
7 years |
vondreele |
Rename ShowLSParms to OnShowLSParms
Add [Ymin,Ymax] to PWDR data[0] …
|
|
|
@2700
|
7 years |
vondreele |
fix issues withh single/multiscan Bruker raw files
recover Temperature …
|
|
|
@2699
|
7 years |
vondreele |
fix bug involving input of lab data - Sample defaults for …
|
|
|
@2698
|
7 years |
vondreele |
work over sequentia fit stuff - allow all parameters shown in table to …
|
|
|
@2697
|
7 years |
vondreele |
put colList for seqTable in G2frame it has persistence when plot is …
|
|
|
@2696
|
7 years |
vondreele |
use F d 3 m for Si space group in ImageCalibrants? - should eliminate …
|
|
|
@2695
|
7 years |
vondreele |
use min(intensity) as default for PDF Flat Bkg - gives better start …
|
|
|
@2694
|
7 years |
vondreele |
after a repeat of a sequential fit, clear away old plot. Removes …
|
|
|
@2693
|
7 years |
vondreele |
fix problem in Fourier reflection selection where if no selection made …
|
|
|
@2692
|
7 years |
toby |
don't allow duplicate PDF entries; PWDR and PDF names must match.
|
|
|
@2691
|
7 years |
vondreele |
fix Transform - cell constraints were wrong
needed to clear …
|
|
|
@2690
|
7 years |
vondreele |
one more tweak of penetration correction
|
|
|
@2689
|
7 years |
vondreele |
improve DepCorr? needed dist2/1000 - no rescaling needed - now almost …
|
|
|
@2688
|
7 years |
vondreele |
sequential PDF peak fitting now implemented
|
|
|
@2687
|
7 years |
vondreele |
problem if ESD=0 in EvalPSvarDeriv; just return 0.
add 'setdist' to …
|
|
|
@2686
|
7 years |
vondreele |
for image calibration constants, redefine DetDepth? to be old …
|
|
|
@2685
|
7 years |
vondreele |
save image recalibrate all in sequential results table
allow global …
|
|
|
@2684
|
7 years |
toby |
Image Parameters: split menus, more xfer angles options
|
|
|
@2683
|
7 years |
toby |
fix sum images
|
|
|
@2682
|
7 years |
toby |
fix EditTable? bug
|
|
|
@2681
|
7 years |
vondreele |
fix missing 'Oblique' problem in G2imgGUI
fix inner 2-theta limit …
|
|
|
@2680
|
7 years |
toby |
simplify a bit further; tested w/EPD on Mac & WinXP
|
|
|
@2679
|
7 years |
vondreele |
tidy up periodic table - better foreground/background contrast on elements
|
|
|
@2678
|
7 years |
vondreele |
fix display of periodic table for windows. Now shows colors.
|
|
|
@2677
|
7 years |
toby |
show formula, etc. from .pdfprm file
|
|
|
@2676
|
7 years |
vondreele |
refactor UpdatePDFGrid to break up into blocks of sizers
|
|
|
@2675
|
7 years |
toby |
Make new PDF names unique; plot G(r); minor fixes
|
|
|
@2674
|
7 years |
vondreele |
prevent delete if PWDR if corresponding PDF exists
use PickElements? …
|
|
|
@2673
|
7 years |
vondreele |
moved GetFileList? to top of G2pwdGUI - needed in two places. The one …
|
|
|
@2672
|
7 years |
toby |
fixed legend for G(r), S(Q),…
|
|
|
@2671
|
7 years |
toby |
Set calib d-min as option for xfer angles; fix trig error
|
|
|
@2670
|
7 years |
toby |
Add PDF computation to autointegrate
|
|
|
@2669
|
7 years |
vondreele |
set lower limit selection in TOF patterns to be >= 0.4A dspacing.
|
|
|
@2668
|
7 years |
toby |
white letters for dark element colors (Mac/Linux?)
|
|
|
@2667
|
7 years |
toby |
prevent Unicode in data tree names; move PDF setup to standalone routine
|
|
|
@2666
|
7 years |
vondreele |
increase windows element button slightly
|
|
|
@2665
|
7 years |
vondreele |
fix problem changing atom type for selected atoms - Type was made …
|
|
|
@2664
|
7 years |
toby |
increase button size in periodic table on Mac/Linux?
|
|
|
@2663
|
7 years |
toby |
fix periodic table on Mac
|
|
|