Age | Commit message (Collapse) | Author | |
---|---|---|---|
2019-03-11 | cell_tool: Add --rings | Thomas White | |
2019-03-11 | cell_tool --uncenter: Write unit cell to file | Thomas White | |
2019-03-11 | cell_tool: Add --uncenter | Thomas White | |
2019-03-11 | Initial cell_tool (implementing find_ambi only) | Thomas White | |
2019-03-07 | indexamajig: Status message improvements | Thomas White | |
1. Show the number of hits 2. Keep producing updates while the last patterns are being processed 3. Don't duplicate the code for displaying the status messages | |||
2019-03-07 | Remove old debug message | Thomas White | |
2019-03-06 | indexamajig: Rename --min-gradient to --min-squared-gradient | Thomas White | |
The eventual aim of this is to deprecate the "--min-gradient" option, resolving the long-standing confusion about whether this option is the gradient or the squared gradient. | |||
2019-03-01 | partialator: Fix two small memory leaks | Thomas White | |
2019-03-01 | partialator: Check for failed minimiser setup in write_grid() | Thomas White | |
2019-03-01 | partialator: Fix string overruns in write_grid() | Thomas White | |
2019-03-01 | partialator: Avoid double-free of stuff_from_stream and filename | Thomas White | |
2019-01-30 | Simplify fill_queue() | Thomas White | |
2019-01-30 | Fixes for get_pattern() | Thomas White | |
2019-01-30 | Fix read_prefixed_filename() | Thomas White | |
2019-01-29 | Remove debugging message | Thomas White | |
2019-01-29 | Fix some compiler warnings about string handling | Thomas White | |
2019-01-29 | Tidy up no_more | Thomas White | |
2019-01-29 | Improvements to get_pattern() | Thomas White | |
2019-01-29 | Add multi_event_geometry() function | Thomas White | |
2019-01-29 | hdfsee: Fix possible string truncation | Thomas White | |
2019-01-28 | partialator: Display error message if minimiser can't be set up | Thomas White | |
2019-01-28 | partialator: Fix incorrect free(audit_info) | Thomas White | |
2019-01-28 | partialator: Catch failure to set up post-refinement minimiser | Thomas White | |
2019-01-28 | partialator: Fix multiple memory leaks | Thomas White | |
2019-01-28 | partialator: Fix a small typo | Thomas White | |
2019-01-22 | Fix some small memory leaks | Thomas White | |
2019-01-03 | indexamajig: Return non-zero exit status if no patterns were processed | Thomas White | |
2018-12-18 | make_pixelmap: Use <input>.h5 as default output filename | Thomas White | |
2018-12-18 | check_hkl: Catch NaN L-value due to two zeroed negative intensities | Thomas White | |
2018-12-06 | make_pixelmap: Fix #include | Thomas White | |
2018-12-06 | Add make_pixelmap to core CrystFEL | Thomas White | |
2018-12-04 | partialator: Fix leaked file handle | Thomas White | |
2018-12-03 | indexamajig: Add --wait-for-file | Thomas White | |
2018-11-30 | Factorise correction of intensity for G, B, p and L | Thomas White | |
There were no fewer than 8 different places in the code where these factors needed to be applied. They all need to agree on conventions such as whether the intensities in the pattern should be multiplied or divided by G to "correct" them. They were not. This commit reduces the number of places to three: one function (actually two functions, so that the value before partiality can also be calculated consistently), plus log_residual and scale_one_crystal, where slightly different logarithmic versions are used instead. | |||
2018-11-22 | Don't weight reflections by partiality in residual | Thomas White | |
Because we want under-prediction to be penalised just as much as over-prediction | |||
2018-11-22 | Count crystals with no reflections in various FoMs | Thomas White | |
This is the most common cause of NaN residuals, so it seems better to report that there weren't enough reflections than to report a NaN. | |||
2018-11-22 | log_residual: Actually set n_used | Thomas White | |
2018-11-22 | Restore reflection weighting | Thomas White | |
2018-11-22 | Typecast the data from xxd | Thomas White | |
2018-11-22 | Don't do deltaCChalf with reference data set | Thomas White | |
2018-11-16 | partialator: Handle partial reflections properly in deltaCChalf | Thomas White | |
2018-11-16 | Require deltaCChalf to actually be negative before rejecting | Thomas White | |
2018-11-15 | indexamajig: Name and shame slow processing stages | Thomas White | |
2018-11-14 | Remove unused variables | Thomas White | |
2018-11-14 | Merge branch 'tom/logmerge' | Thomas White | |
2018-11-09 | Fix prototype for calculate_refl_mean_var | Thomas White | |
2018-11-09 | geoptimiser: Fix ifdefs | Thomas White | |
2018-11-09 | Time account fussiness | Thomas White | |
2018-11-09 | Remove ununused variable | Thomas White | |
2018-11-06 | Exclude flagged crystals from deltaCChalf calculation | Thomas White | |