Age | Commit message (Collapse) | Author | |
---|---|---|---|
2013-08-20 | get_hkl: Add --cutoff-angstroms | Thomas White | |
2013-08-12 | Improve show_matrix_eqn() | Thomas White | |
2013-08-08 | render_hkl: Fix it once and for all | Thomas White | |
2013-08-08 | Add show_matrix() | Thomas White | |
2013-08-08 | Show determinant when complaining about a non-integer matrix result | Thomas White | |
2013-08-01 | Count filtered eigenvalues | Thomas White | |
2013-08-01 | Use a struct to contain information for scaling report | Thomas White | |
2013-08-01 | Count filtered eigenvalues | Thomas White | |
2013-08-01 | Fix Lorentz gradient | Thomas White | |
2013-08-01 | Add test for gradient of Lorentz factor (as well as partiality) | Thomas White | |
2013-08-01 | Fix previous commit | Thomas White | |
2013-07-31 | Flag crystals as "not refined" if SVD fails | Thomas White | |
2013-07-31 | Refine divergence as well | Thomas White | |
2013-07-31 | Rescale the normal equations before attempting to solve | Thomas 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. | |||
2013-07-31 | Set C=0 for gsl_cblas_dgemm() | Thomas White | |
2013-07-31 | Use the correct reference list for selection | Thomas White | |
2013-07-31 | Tweak rejection criteria | Thomas White | |
2013-07-31 | Count reflections gained and lost during initial partiality calculation | Thomas White | |
2013-07-31 | Count number of "dud" crystals each iteration, not just at the end | Thomas White | |
2013-07-31 | Tweak error path | Thomas White | |
2013-07-31 | Require scaling convergence to 5%, not 1% | Thomas White | |
2013-07-31 | Revert refinement step if too many reflections are lost | Thomas White | |
2013-07-31 | partialator: New convergence criterion for scaling | Thomas 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. | |||
2013-07-31 | hdfsee: Show simple rings even if not using detector geometry | Thomas White | |
2013-07-26 | partialator: Use Lorentz factor in partiality histograms | Thomas White | |
2013-07-25 | Tweak comments | Thomas White | |
2013-07-25 | partialator: Account for Lorentz factor | Thomas White | |
2013-07-25 | partialator: Simplify scaling | Thomas White | |
2013-07-24 | Iteration 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). | |||
2013-07-24 | update_partialities(): Scratch list no longer needed | Thomas White | |
2013-07-23 | Add scripts/split-indexed to Makefile.am | Thomas White | |
2013-07-22 | Add scripts/split-indexed | Thomas White | |
2013-07-22 | compare_hkl: Fix typo | Thomas White | |
2013-07-18 | Get rid of scripts/wibbletron | Thomas White | |
It's way out of date | |||
2013-07-18 | Emphasise default unique axis in manual | Thomas White | |
2013-07-05 | This is CrystFEL 0.5.10.5.1 | Thomas White | |
2013-07-05 | Fix more lies | Thomas White | |
2013-07-05 | Fix uninitialised rval for XDS | Thomas White | |
2013-07-05 | Fix uninitialised rval for GrainSpotter | Thomas White | |
2013-07-05 | Fix lies in indexamajig man page | Thomas White | |
2013-07-04 | Tidy up unused variables | Thomas White | |
2013-07-04 | Fix pointer type | Thomas White | |
2013-07-04 | Mark estimate_resolution() and estimate_mosaicity() as unused | Thomas White | |
2013-07-04 | Update docs | Thomas White | |
2013-07-04 | tests/partialator_merge_check_*: Remove scaling-report.pdf afterwards | Thomas White | |
2013-07-04 | process_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. | |||
2013-06-30 | compare_hkl: Tidy up and fix CRDano | Thomas White | |
2013-06-29 | scripts/alternate-stream: Fix string format injection | Thomas White | |
2013-06-29 | compare_hkl: For 'CRDano', use known mean of zero | Thomas White | |
2013-06-29 | Added rms correlation ratio to compare_hkl (CRDano) | Lorenzo Galli | |