CrystFEL - Data processing for serial crystallography

Age	Commit message (Collapse)	Author
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

2018-02-27	Use linear scale when scaling against reference	Thomas White

2018-02-27	partialator: Add --reference	Thomas White

2018-02-27	Tweak reflection inclusion criteria	Thomas White

2018-02-27	partialator: Write spectrum graph	Thomas White

2018-02-27	New partiality model from Ginn et al.	Thomas White

2018-02-27	Separate partiality calculation from prediction	Thomas White

2018-01-19	partialator: Improve message about "Not refining unity model"	Thomas White
	It sounded too much like a warning. Now it's a bit more friendly.
2017-10-23	Check return values from fread/fgets	Thomas White

2017-03-03	partialator: Better handling of very small number of crystals	Thomas White

2017-02-01	partialator: Exit if point group is unrecognised	Thomas White

2016-11-24	partialator: Fix counting of images	Thomas White

2016-11-16	partialator: Fix segfault when not using --custom-split	Thomas White
	Crash introduced by 775bbc2d. How silly of me. Thanks to Ken Beyerlein for fixing this.
2016-11-04	Add (more) warnings about unique axes	Thomas White

2016-10-28	partialator: Show some useful numbers about csplit datasets	Thomas White

2016-10-28	partialator: Don't write a dataset if it contains no crystals	Thomas White

2016-08-16	get_hkl, partialator, process_hkl: Add command line and version info	Thomas White

2016-02-08	Formatting	Thomas White

2016-02-05	partialator: add --output-every-cycle option to write .hkl* and .params ↵	Keitaro Yamashita
	files in every cycle
2016-01-06	Rearrange columns in partialator.params	Thomas White

2016-01-06	Print filename and event string in the partialator.params output file	Valerio Mariani

2015-11-19	partialator: Set default push-res to infinity	Thomas White
	Not needed now that the scaling is more stable
2015-11-18	Move B factor limit to general rejection function	Thomas White

2015-11-18	partialator: Scale (strictly) using strong reflections only	Thomas White

2015-11-18	merge_intensities(): add use_weak option	Thomas White

2015-09-25	partialator: Rationalise residual calculation and display	Thomas White

2015-09-24	Reject big B factors before trying PR	Thomas White