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2013-08-20get_hkl: Add --cutoff-angstromsThomas White
2013-08-12Improve show_matrix_eqn()Thomas White
2013-08-08render_hkl: Fix it once and for allThomas White
2013-08-08Add show_matrix()Thomas White
2013-08-08Show determinant when complaining about a non-integer matrix resultThomas White
2013-08-01Count filtered eigenvaluesThomas White
2013-08-01Use a struct to contain information for scaling reportThomas White
2013-08-01Count filtered eigenvaluesThomas White
2013-08-01Fix Lorentz gradientThomas White
2013-08-01Add test for gradient of Lorentz factor (as well as partiality)Thomas White
2013-08-01Fix previous commitThomas White
2013-07-31Flag crystals as "not refined" if SVD failsThomas White
2013-07-31Refine divergence as wellThomas White
2013-07-31Rescale the normal equations before attempting to solveThomas White
This makes the equations insensitive to the units of the parameters being refined, e.g. divergence is measured in radians whereas cell parameters are measured in m^-1, so their magnitudes are very different.
2013-07-31Set C=0 for gsl_cblas_dgemm()Thomas White
2013-07-31Use the correct reference list for selectionThomas White
2013-07-31Tweak rejection criteriaThomas White
2013-07-31Count reflections gained and lost during initial partiality calculationThomas White
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
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