| Age | Commit message (Collapse) | Author | |
|---|---|---|---|
| 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 | 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. | |||
| 2018-11-14 | Merge branch 'tom/logmerge' | Thomas White | |
| 2018-09-10 | Make sure reflection contribution list gets freed | Thomas White | |
| 2018-09-07 | partialator: Add option to disable deltaCChalf | Thomas White | |
| 2018-07-27 | partialator: Complain about NaN residuals | Thomas White | |
| 2018-07-27 | partialator: Report number of crystals used in residuals | Thomas White | |
| 2018-07-27 | partialator: More improvements to pr-log logic | Thomas White | |
| 2018-07-27 | partialator: Also generate logs when not doing post-refinement | Thomas White | |
| 2018-07-26 | partialator: Add --min-res | Thomas White | |
| 2018-06-28 | Merge ln of intensity rather than intensities themselves | Ken Beyerlein | |
| 2018-05-17 | Merge branch 'tom/cmake' | Thomas White | |
| 2018-05-11 | partialator: Don't refuse to start if pr-logs folder exists | Thomas White | |
| It's a nice idea, but I'm not sure it helps. | |||
| 2018-05-11 | Disable initial scaling if requested | Thomas White | |
| 2018-05-07 | Preparation for adjusting B factor during post-refinement | Thomas White | |
| Add --no-Bscale option to partialator, and pass down as far as needed residual() no longer does scaling: call scale_one_crystal() first if necessary scale_one() replaces old linear_scale() function to scale a pair of RefLists (but so far does the same as the old function) | |||
| 2018-05-07 | Remove unused parameter | Thomas White | |
| 2018-05-02 | Remove scale_all_to_reference | Thomas White | |
| 2018-05-02 | Comment out message about disabled function | Thomas White | |
| 2018-04-24 | partialator: Add stream audit information to reflection list | Thomas White | |
| 2018-03-13 | Nicer way of getting Git revision | Thomas White | |
| This will need a separate way to create the official releases (which shouldn't have Git revisions attached) | |||
| 2018-03-02 | Use old scaling code | Thomas White | |
| 2018-03-02 | Remove unnecessary pmodels | Thomas White | |
| 2018-03-02 | Don't calculate pobs if reference reflection is weak | Thomas White | |
| 2018-02-27 | Write logs for test program | Thomas White | |
| 2018-02-27 | Add --force-bandwidth and --force-radius | Thomas White | |
| 2018-02-27 | Move pgraph.dat to pr-logs folder | Thomas White | |
| 2018-02-27 | partialator: Add -w and --operator options | Thomas White | |
| 2018-02-27 | Don't write pgraph.dat if --no-logs | Thomas White | |
| 2018-02-27 | partialator: Tidy up old log files, and add --no-logs | Thomas White | |
| 2018-02-27 | Update copyright date | Thomas White | |
| 2018-02-27 | Don't write logs if --no-pr | Thomas White | |
| It just takes too long. | |||
| 2018-02-27 | Add Ipart values to pgraph | Thomas White | |
| 2018-02-27 | Write spectra and grid scans after every iteration, and also before the ↵ | Thomas White | |
| first and at end Also, do it in parallel. | |||
| 2018-02-27 | Write spectrum graph at end again | Thomas White | |
| 2018-02-27 | Move specgraph stuff to post-refinement.c | Thomas White | |
| 2018-02-27 | Create a separate image structure for each image | Thomas White | |
| Because the wavelength is going to be refined and shouldn't be shared. In the future, the wavelength should somehow be refined jointly between multi-crystal images. | |||
| 2018-02-27 | Write log files of numbers per simplex iteration | Thomas White | |
| 2018-02-27 | Use "iteration F" in logs | Thomas White | |
| 2018-02-27 | Combine pgraph and specgraph into one file for all iterations | Thomas White | |
| 2018-02-27 | Add some extra messages | Thomas White | |
| 2018-02-27 | Tidy up | Thomas White | |
| 2018-02-27 | partialator: Stop if reference reflection list can't be loaded | Thomas White | |
| 2018-02-27 | Pass serial number and verbosity level down | Thomas White | |
| 2018-02-27 | Don't complain loudly about scaling failures during refinement | Thomas White | |
| As long as it doesn't end up somewhere bad, it can probe where it likes. | |||
| 2018-02-27 | Switch to simpler scaling algorithm | Thomas White | |
| 2018-02-27 | Don't scale when told not to | Thomas White | |
| 2018-02-27 | Scaling fixes | Thomas White | |
| 2018-02-27 | Residual and scaling fixes | Thomas White | |
| 2018-02-27 | Set initial OSF for linear scale factors | Thomas White | |
| 2018-02-27 | Store scale factor in linear form | Thomas White | |
 |
index : CrystFEL | |
| Data processing for serial crystallography | Thomas White |
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