aboutsummaryrefslogtreecommitdiff
AgeCommit message (Collapse)Author
2013-07-31Count number of "dud" crystals each iteration, not just at the endThomas White
2013-07-31Tweak error pathThomas White
2013-07-31Require scaling convergence to 5%, not 1%Thomas White
2013-07-31Revert refinement step if too many reflections are lostThomas White
2013-07-31partialator: New convergence criterion for scalingThomas White
Instead of stopping iteration when the absolute value of any scaling factor changes by more than a certain (small) amount, calculate the ratios of the scaling factors to their previous values, and stop when no scaling factor changes by more than 1% compared to the mean ratio. This method is robust against "drifting" of the scale factors when the partiality estimates are poor.
2013-07-31hdfsee: Show simple rings even if not using detector geometryThomas White
2013-07-26partialator: Use Lorentz factor in partiality histogramsThomas White
2013-07-25Tweak commentsThomas White
2013-07-25partialator: Account for Lorentz factorThomas White
2013-07-25partialator: Simplify scalingThomas White
2013-07-24Iteration over reflection list should include other reflections with same ↵Thomas White
asymmetric indices This fixes a >2 year old bug in the reflection list, and a bug in tests/list_check.c which allowed it to go undetected for so long. The main situation where it would have caused problems is when asymmetric_indices() was called on a reflection list containing symmetrically equivalent reflections. The only core CrystFEL program which does this is partialator. compare_hkl uses asymmetric_indices(), but the reflections are already guaranteed to be asymmetric by that point (because check_list_symmetry() has been called).
2013-07-24update_partialities(): Scratch list no longer neededThomas White
2013-07-23Add scripts/split-indexed to Makefile.amThomas White
2013-07-22Add scripts/split-indexedThomas White
2013-07-22compare_hkl: Fix typoThomas White
2013-07-18Get rid of scripts/wibbletronThomas White
It's way out of date
2013-07-18Emphasise default unique axis in manualThomas White
2013-07-05This is CrystFEL 0.5.10.5.1Thomas White
2013-07-05Fix more liesThomas White
2013-07-05Fix uninitialised rval for XDSThomas White
2013-07-05Fix uninitialised rval for GrainSpotterThomas White
2013-07-05Fix lies in indexamajig man pageThomas White
2013-07-04Tidy up unused variablesThomas White
2013-07-04Fix pointer typeThomas White
2013-07-04Mark estimate_resolution() and estimate_mosaicity() as unusedThomas White
2013-07-04Update docsThomas White
2013-07-04tests/partialator_merge_check_*: Remove scaling-report.pdf afterwardsThomas White
2013-07-04process_hkl: Fix sigma calculation (again)Thomas White
Bessel's correction isn't needed here. Or, at least it hasn't been used in the past.
2013-06-30compare_hkl: Tidy up and fix CRDanoThomas White
2013-06-29scripts/alternate-stream: Fix string format injectionThomas White
2013-06-29compare_hkl: For 'CRDano', use known mean of zeroThomas White
2013-06-29Added rms correlation ratio to compare_hkl (CRDano)Lorenzo Galli
2013-06-29partialator: Initialise mosaicityThomas White
2013-06-28partial_sim: Initialise crystal mosaicity, num peaks and num saturated peaksThomas White
2013-06-28Don't check max_adu during gradient search if --use-saturated is givenThomas White
2013-06-26Track number of rejected saturated peaksThomas White
2013-06-25Restore sigma calculation with --integration=ringsThomas White
2013-06-21Reduce verbosityThomas White
2013-06-21Use tentative_intensity() (with fitted background) for "rings"Thomas White
2013-06-21Peak integrals are per boxThomas White
2013-06-21Update ChangeLogThomas White
2013-06-21Convert angle to degrees for GrainSpotterThomas White
2013-06-20show_peak_box() and show_reference_profile(): refresh() before getch()Thomas White
2013-06-20compare_hkl: Fix quoted number of rejected reflectionsThomas White
2013-06-10indexamajig: Fix default integration methodThomas White
2013-06-10Add commentThomas White
2013-06-06Update docsThomas White
2013-06-06Set default integration method to "rings-nocen"Thomas White
Applying the Principle of Least Surprise before merging to master. Previously, it was rings-cen.
2013-06-02Fix RG delta output, and write only if actually calibratedThomas White
2013-06-02Refine rigid group positions and orientationsThomas White
generated by cgit v1.2.3 (git 2.25.1) at 2024-07-07 11:52:32 +0000