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@1791
|
10 years |
vondreele |
use sample angles in sp.harm. PO refinement for non Bragg-Brentano …
|
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@1782
|
10 years |
vondreele |
fix display of fixed wavelength selection
show no. user rejected refl. …
|
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@1773
|
10 years |
vondreele |
provide sig,gam & FWHM in export of PWDR reflection set as csv & txt …
|
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|
|
@1762
|
10 years |
vondreele |
fix exports of reflection csv & txt files to work for CW & TOF data as …
|
|
|
|
@1761
|
10 years |
vondreele |
better fix to export csv reflections
change default I/Ib for strain …
|
|
|
|
@1760
|
10 years |
vondreele |
fix csv exporter for reflection lists
|
|
|
|
@1675
|
10 years |
vondreele |
fix but in export powder fxye file. Bad format for profile coeffs.
|
|
|
|
@1659
|
10 years |
vondreele |
get fourier density min/max & keep them
enter fourier min/max into cif file
|
|
|
|
@1658
|
10 years |
vondreele |
correct bugs in single crystal cif output - now good for TOF data …
|
|
|
|
@1630
|
10 years |
vondreele |
add export routine for tables of x,y0,y1,y2,... for multiple powder …
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@1618
|
10 years |
vondreele |
fix space group print in shelx export
fix errors when data is deleted …
|
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|
@1496
|
11 years |
vondreele |
Add sequential peak fitting.
Change Back:n to Back;n for background …
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@1329
|
11 years |
vondreele |
fix export of topas xye data - comments need /* & */ delimiters (ugh!) …
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@1299
|
11 years |
toby |
Set conf flags consistently for .py files
|
|
|
|
@1261
|
11 years |
toby |
reorg exports to implement directory selection
|
|
|
|
@1236
|
11 years |
toby |
Add FXYE & XYE exporters; allow multiple powder exports; fix …
|
|
|
|
@1191
|
11 years |
vondreele |
CSV exporter for strain results
|
|
|
|
@1130
|
12 years |
toby |
CIF export: use G2 T & P values, fix profile inclusion to show all hists
|
|
|
|
@1127
|
12 years |
toby |
more export changes to catch up to data structure updates; update …
|
|
|
|
@1126
|
12 years |
toby |
fix radii editing & reflection table access in CIF export
|
|
|
|
@1123
|
12 years |
toby |
add import and export routines to sphinx
|
|
|
|
@1122
|
12 years |
vondreele |
rename ASCIImap to just map
add export of ccp4 maps
|
|
|
|
@1118
|
12 years |
toby |
fix map export bug
|
|
|
|
@1117
|
12 years |
toby |
update some menu labels; Add new multi-item selector; Add map export; …
|
|
|
|
@1115
|
12 years |
toby |
rework exports for new types
|
|
|
|
@1102
|
12 years |
toby |
change exports to always have lists of phases & histograms; new export …
|
|
|
|
@1100
|
12 years |
vondreele |
finish 1st version (workable) of a PDB exporter for macromolecular …
|
|
|
|
@1090
|
12 years |
vondreele |
complete 1st version of export PDB
|
|
|
|
@1089
|
12 years |
vondreele |
start on PDB exporter
|
|
|
|
@1084
|
12 years |
toby |
installer uses xterm on GNOME shortcut
|
|
|
|
@1081
|
12 years |
toby |
revise export menu; add multiple selection to G2gd.ItemSelector?
|
|
|
|
@1079
|
12 years |
vondreele |
small changes to G2cif for macromolecular structures; make atom names …
|
|
|
|
@1077
|
12 years |
toby |
cleanup plot & svn bugs; set missing keywords; CIF export done; update docs
|
|
|
|
@1074
|
12 years |
toby |
more CIF work
|
|
|
|
@1069
|
12 years |
toby |
finally a working CIF exporter (export mechanism needs configuring); …
|
|
|
|
@1068
|
12 years |
toby |
nearing end of CIF export
|
|
|
|
@1067
|
12 years |
toby |
CIF updates
|
|
|
|
@1057
|
12 years |
toby |
reorg UserCalibrants? into ImageCalibrants?; Add trim (whitespace) …
|
|
|
|
@1045
|
12 years |
vondreele |
fix Fourier map problems - didn't like Fo<0.
use ErrorDialog? for some …
|
|
|
|
@1044
|
12 years |
vondreele |
provide example for form factor cif stuff (no new code)
|
|
|
|
@1039
|
12 years |
vondreele |
a few more cif fix ups
an extra _pd_block_diffractogram_id removed …
|
|
|
|
@1038
|
12 years |
vondreele |
more work on residuals & cif files
|
|
|
|
@1037
|
12 years |
vondreele |
more residuals in cif fixes??
|
|
|
|
@1036
|
12 years |
vondreele |
fix a couple of mistakes & get SC to cif OK
|
|
|
|
@1035
|
12 years |
vondreele |
further adventures in residual reporting in cif files
hId & pId must …
|
|
|
|
@1030
|
12 years |
vondreele |
mods to CIF export
add residuals to histogram GUI
save histogram …
|
|
|
|
@1029
|
12 years |
vondreele |
fix some things enCIFr whines about
|
|
|
|
@1026
|
12 years |
toby |
now with distances & angles
|
|
|
|
@1022
|
12 years |
toby |
fix error on adding an atom to a new phase before Draw Options are …
|
|
|
|
@1014
|
12 years |
vondreele |
background peak & Debye terms added to cif
|
|
|
|
@1013
|
12 years |
vondreele |
add output of profile coeff, background & size/mustrain/strain parms. …
|
|
|
|
@1012
|
12 years |
vondreele |
add svn header to G2cif.py and GSASIIpath to imports
add DEBUG to skip …
|
|
|
|
@1010
|
12 years |
toby |
more CIF work
|
|
|
|
@990
|
12 years |
toby |
mac fix for gltext; update docs
|
|
|
|
@989
|
12 years |
toby |
add constraint derivs for single xtal; allow cellFill to work without …
|
|
|
|
@981
|
12 years |
toby |
introduce regress option; fix esd printing; more docs; new Mac app …
|
|
|
|
@963
|
12 years |
toby |
more CIF work, more docs
|
|
|
|
@960
|
12 years |
toby |
check in CIF dev snapshot
|
|
|
|
@956
|
12 years |
toby |
snapshot of CIF dev
|
|
|
|
@946
|
12 years |
toby |
update self-docs, start work on constraints object
|
|
|
|
@941
|
12 years |
toby |
fix Matts mac bug on switching phase tabs; start doc of phase …
|
|
|
|
@938
|
12 years |
toby |
Add instrument name support; add export menu & CIF testing
|
