CrystFEL - Data processing for serial crystallography

Age	Commit message (Collapse)	Author
2019-01-28	partialator: Fix multiple memory leaks	Thomas White

2019-01-28	partialator: Fix a small typo	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	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