|
|
@1172
|
12 years |
toby |
ask to link phases to histograms after an import of either; rethink …
|
|
|
@1171
|
12 years |
vondreele |
geometric correction for image integration - OK for tilts
|
|
|
@1170
|
12 years |
vondreele |
remove Rigid bodies from delete data list
revise geometric correction …
|
|
|
@1169
|
12 years |
vondreele |
fix space group ops. cif output
|
|
|
@1168
|
12 years |
toby |
update imports to provide error messages
|
|
|
@1167
|
12 years |
vondreele |
hyperbola fixes; still problem with azm not correctly referenced to …
|
|
|
@1166
|
12 years |
vondreele |
image calibration now finished - all images work
|
|
|
@1165
|
12 years |
vondreele |
image calibration much better now - works on transposed data
|
|
|
@1164
|
12 years |
vondreele |
Good image calibration in all cases thus far tested
|
|
|
@1163
|
12 years |
vondreele |
ellipse & hyperbola fitting & plotting - much closer
still issues tho.
|
|
|
@1162
|
12 years |
toby |
Add 32-bin linux binaries (ubuntu 12.04 LTS)
|
|
|
@1161
|
12 years |
toby |
finish ISODISTORT occupancy modes
|
|
|
@1160
|
12 years |
toby |
finish ISODISPLACE fixes; improve show var window; improve help …
|
|
|
@1159
|
12 years |
vondreele |
small fix to framed recalibration
|
|
|
@1158
|
12 years |
vondreele |
the mask frame now limits points used in Recalibrate (not Calibrate)
|
|
|
@1157
|
12 years |
vondreele |
make prints as DEBUG options
|
|
|
@1156
|
12 years |
vondreele |
Read 32-bit CHESS tiff files?
|
|
|
@1155
|
12 years |
vondreele |
skipped lines are now skipped in recalibrate, but their expected rings …
|
|
|
@1154
|
12 years |
vondreele |
go back to old geometric correction
new is wrong somehow
|
|
|
@1153
|
12 years |
vondreele |
fix to multiimage Integrate
fix to calibration
new geometric …
|
|
|
@1152
|
12 years |
vondreele |
fixes to image integration
|
|
|
@1151
|
12 years |
vondreele |
fix ring & arc masks
|
|
|
@1150
|
12 years |
toby |
Catch phase w/o histogram error
|
|
|
@1149
|
12 years |
vondreele |
cleanup of image stuff
remove wx from G2image, limit fitting to …
|
|
|
@1148
|
12 years |
vondreele |
major changes to 2-D detector calibration; now works for strongly …
|
|
|
@1147
|
12 years |
toby |
Complete initial ISODISPLACE implementation; mod. phase …
|
|
|
@1146
|
12 years |
vondreele |
small mods
|
|
|
@1145
|
12 years |
toby |
move DefaultControls? out of g2grid to avoid wx requirement; now import …
|
|
|
@1144
|
12 years |
vondreele |
fix bug in GetControls?
|
|
|
@1143
|
12 years |
toby |
rework constraints to handle names and refine flag for new var (input …
|
|
|
@1142
|
12 years |
vondreele |
add 2*Fo-Fc omit to Fourier map collection
|
|
|
@1141
|
12 years |
toby |
minor tweaks: move indexing of Ids to histogram load, remove Type from …
|
|
|
@1140
|
12 years |
vondreele |
fix problem in lease squares
fix ImageCalibrants?.py - remove None
|
|
|
@1139
|
12 years |
toby |
missing def
|
|
|
@1138
|
12 years |
toby |
major constraints revision
|
|
|
@1137
|
12 years |
vondreele |
allow a 'None' for image calibrant to facilitate fitting single rings …
|
|
|
@1136
|
12 years |
vondreele |
block StructureFactor2 calcs - less memory
|
|
|
@1135
|
12 years |
vondreele |
tiny fix - missing '['!
|
|
|
@1134
|
12 years |
vondreele |
add MemoryError? check to StructureFactor2
allow inversion of x & y …
|
|
|
@1133
|
12 years |
vondreele |
fix to polarization calc for images
|
|
|
@1132
|
12 years |
toby |
add link to docs in help and update PDF
|
|
|
@1131
|
12 years |
vondreele |
fix to read Chess A2 tiff files
add polarization correction to SASD …
|
|
|
@1130
|
12 years |
toby |
CIF export: use G2 T & P values, fix profile inclusion to show all hists
|
|
|
@1129
|
12 years |
vondreele |
add some docs to G2obj.py
|
|
|
@1128
|
12 years |
vondreele |
mask picking redone; all now made by key, mouse or submenu
some update …
|
|
|
@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
|
|
|
@1125
|
12 years |
vondreele |
StructureFactor2 does SF calculation for entire block of reflection - …
|
|
|
@1124
|
12 years |
toby |
add a new mask menu command; change the dataframe status when in new …
|
|
|
@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
|
|
|
@1121
|
12 years |
vondreele |
reload binwin2.7 & binwin64-2.7 after fix to polymask.for
fix …
|
|
|
@1120
|
12 years |
vondreele |
fix image integration with masks problem
|
|
|
@1119
|
12 years |
vondreele |
fix neutron refinement problem
|
|
|
@1118
|
12 years |
toby |
fix map export bug
|
|
|
@1117
|
12 years |
toby |
update some menu labels; Add new multi-item selector; Add map export; …
|
|
|
@1116
|
12 years |
vondreele |
put in progress bar for omit map calculation
|
|
|
@1115
|
12 years |
toby |
rework exports for new types
|
|
|
@1114
|
12 years |
toby |
fix help error by reverting and editing html by hand
|
|
|
@1113
|
12 years |
vondreele |
fix Babinet derivatives for SC & powder
|
|
|
@1112
|
12 years |
toby |
corrections example; expand docs
|
|
|
@1111
|
12 years |
vondreele |
small change to FF calc in GSASIIstrMath.py
add a bit of doc test to …
|
|
|
@1110
|
12 years |
vondreele |
removed Uniq % Phi from reflection data structure - make locally …
|
|
|
@1109
|
12 years |
toby |
minor doc updates, no rebuild
|
|
|
@1108
|
12 years |
toby |
add windows make for sphinx
|
|
|
@1107
|
12 years |
vondreele |
make reflist np.array
fix bug - hfx+'Type' needs to be in parmDict
|
|
|
@1106
|
12 years |
vondreele |
modify reflection array to be a dictionary with 4 items: RefList?, …
|
|
|
@1105
|
12 years |
toby |
fix Matt Suchomel's simulation bug
|
|
|
@1104
|
12 years |
toby |
fix James Hester's problem reading CW neutron pdCIFs
|
|
|
@1103
|
12 years |
vondreele |
fixes to protein restraints & rigid body GUI issues
|
|
|
@1102
|
12 years |
toby |
change exports to always have lists of phases & histograms; new export …
|
|
|
@1101
|
12 years |
vondreele |
add time prints
|
|
|
@1100
|
12 years |
vondreele |
finish 1st version (workable) of a PDB exporter for macromolecular …
|
|
|
@1099
|
12 years |
vondreele |
improvements to torsion & Ramachandran plot routines
|
|
|
@1098
|
12 years |
vondreele |
improve torsion & Ramachandran restraint plots - use picker to …
|
|
|
@1097
|
12 years |
vondreele |
mods to restraint GUI & LS output for restraints
correct torsion & …
|
|
|
@1096
|
12 years |
vondreele |
oops - need the numpy random seed routine
|
|
|
@1095
|
12 years |
vondreele |
make seed %100000
|
|
|
@1094
|
12 years |
vondreele |
small correction on multi MC/SA
|
|
|
@1093
|
12 years |
vondreele |
better fix to random number start for multiprocessing
|
|
|
@1092
|
12 years |
vondreele |
remove GSASIIsolve - never will be used
put back matrix rescaling for …
|
|
|
@1091
|
12 years |
toby |
randomize parallel processes for MC/SA
|
|
|
@1090
|
12 years |
vondreele |
complete 1st version of export PDB
|
|
|
@1089
|
12 years |
vondreele |
start on PDB exporter
|
|
|
@1088
|
12 years |
vondreele |
small tweak to data simulation - give it a "signature" of fakeness
|
|
|
@1087
|
12 years |
vondreele |
simulated CW powder data now complete with Poisson errors
|
|
|
@1086
|
12 years |
toby |
finish dummy (simulated) histogram
|
|
|
@1085
|
12 years |
toby |
installer uses xterm on GNOME shortcut
|
|
|
@1084
|
12 years |
toby |
installer uses xterm on GNOME shortcut
|
|
|
@1083
|
12 years |
vondreele |
no fix to multiprocess on linux - restore to previous
|
|
|
@1082
|
12 years |
vondreele |
multiprocess MC/SA fix?
|
|
|
@1081
|
12 years |
toby |
revise export menu; add multiple selection to G2gd.ItemSelector?
|
|
|
@1080
|
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 …
|
|
|
@1078
|
12 years |
vondreele |
fix a single crystal blunder
|
|
|
@1077
|
12 years |
toby |
cleanup plot & svn bugs; set missing keywords; CIF export done; update docs
|
|
|
@1076
|
12 years |
vondreele |
again fix MC/SA window scroll behavior & small start on dummy histograms
|
|
|
@1075
|
12 years |
vondreele |
implement new March-Dollase term in MC/SA
|
|
|
@1074
|
12 years |
toby |
more CIF work
|
|
|
@1073
|
12 years |
vondreele |
change chebyschev background fxn to match what is in old GSAS. Much …
|
|
|