CrystFEL - Data processing for serial crystallography

Age	Commit message (Collapse)	Author
2021-03-05	Mass update of copyright dates in source code comments	Thomas White

2020-03-05	partialator: Gracefully handle negative and NaN sigma values	Thomas White
	Of course, these should never happen.
2020-01-10	Mass update of copyright dates	Thomas White

2019-07-17	Modify residual some more	Thomas White

2019-07-17	Modify residual to give clearer minimum, particularly as function of profile ↵	Thomas White
	radius
2019-07-17	Weight reflections according to how much they need to be scaled up	Thomas White

2019-07-17	Allow correct_reflection() to correct anything, not just intensities	Thomas White

2019-06-21	Formatting	Thomas White
	About the comment: yes, it is. temp2 (T) has already been de-logged by this point.
2019-06-21	Actually prevent the use of free-flagged reflections in refinement	Thomas White
	Since we are now using residual() in a numerical minimisation, it's important that it uses either only free-flagged reflections, or only non-free-flagged ones.
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	log_residual: Actually set n_used	Thomas White

2018-11-22	Restore reflection weighting	Thomas White

2018-11-16	partialator: Handle partial reflections properly in deltaCChalf	Thomas White

2018-11-14	Merge branch 'tom/logmerge'	Thomas White

2018-09-10	Make sure reflection contribution list gets freed	Thomas White

2018-09-02	Fussiness	Thomas White

2018-08-30	Save contribution information during merge	Thomas White

2018-06-28	Merge ln of intensity rather than intensities themselves	Ken Beyerlein

2018-05-11	Fix up scaling definitions	Thomas White

2018-05-07	Move residual() and log_residual() to merge.c	Thomas White

2018-05-02	Revert 1/corr weighting during merge	Thomas White
	This restores the scaling behaviour (and performance) of version 0.6.3
2018-03-02	Remove unnecessary pmodels	Thomas White

2018-02-27	Reduce the weight on reflections if they have to be scaled up	Thomas White

2018-02-27	New rejection criteria	Thomas White

2018-02-27	Scaling fixes	Thomas White

2018-02-27	Store scale factor in linear form	Thomas White

2018-02-27	Remove message about number of reflections in merge	Thomas White

2017-07-21	Tidy up some warnings	Thomas White

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

2015-11-19	Count reflections in merge and scaling	Thomas White

2015-11-18	No free-flagged reflections in merge for scaling	Thomas White

2015-11-18	Factorise get_locked_reflection()	Thomas White

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

2015-08-31	Trap attempt to merge zero crystals	Thomas White

2015-07-16	partialator: Don't merge reflections where isnan(corr)	Thomas White

2015-05-19	Debugging stuff	Thomas White

2015-05-19	s/lsq_intensities/merge_intensities/	Thomas White

2015-05-19	Strip out old scaling code	Thomas White