CrystFEL - Data processing for serial crystallography

Age	Commit message (Collapse)	Author
2015-05-06	Remove crystal backup stuff	Thomas White

2015-05-06	Remove unused revert_crystal()	Thomas White

2015-05-06	partialator: Make the gradients indirect, for runtime choice of parameters ↵	Thomas White
	to refine
2015-05-06	partialator: Always honour --min-measurements	Thomas White

2015-04-30	Hdfsee now quits if event option is used without a geometry file	Valerio mariani

2015-04-28	Disable debug	Thomas White

2015-04-28	Remove camera length refinement	Thomas White
	...because it very often seems to cause problems.
2015-04-28	Reject refinement solutions which lead to low numbers of pairings	Thomas White

2015-04-28	Remove debug	Thomas White

2015-04-28	Show residuals	Thomas White

2015-04-28	Remove old code	Thomas White

2015-04-28	Remove unnecessary rejection tests	Thomas White

2015-04-28	Add outlier check for paired peaks	Thomas White

2015-04-28	Fix debug	Thomas White

2015-04-28	write_pairs(): More info	Thomas White

2015-04-20	Tweak pairing procedure	Thomas White

2015-04-20	Tweak rejection	Thomas White

2015-04-20	Add a simple rejection criterion to the prediction refinement	Thomas White

2015-04-20	New pairing procedure for prediction refinement (and auto-R)	Thomas White

2015-04-20	Fix L gradients (and tidy up unnecessary variables)	Thomas White

2015-04-20	Should update clen, not coffset	Thomas White

2015-04-20	Fix gradients	Thomas White

2015-04-20	Increase precision of det_shift and clen_shift	Thomas White

2015-04-20	indexamajig: Reset indexing method if all crystals fail integration	Thomas White

2015-04-20	indexamajig: Add --no-refine	Thomas White

2015-04-20	Disable paired peak output for now	Thomas White

2015-04-20	Output paired peaks for testing	Thomas White

2015-04-20	Revert to stingy spot selection for prediction refinement	Thomas White

2015-04-20	More generous inclusion of reflections for prediction refinement / auto R	Thomas White

2015-04-20	Fix comment	Thomas White

2015-04-20	Refine detector position in prediction refinement	Thomas White

2015-04-20	Add GPARAM_DETX, GPARAM_DETY and GPARAM_CLEN	Thomas White

2015-04-20	Fussiness	Thomas White

2015-04-20	refine_prediction(): Improve error handling	Thomas White

2015-04-20	refine_{radius,prediction}: unite common code (pair_peaks), avoid ↵	Thomas White
	preliminary integration round
2015-04-20	Factorise dr/da part of gradient calculation for PR and prediction	Thomas White

2015-04-20	Remove debugging statements	Thomas White

2015-04-20	Record profile radius before and after refinement	Thomas White

2015-04-20	Throw out crystals which could not be refined	Thomas White

2015-04-20	Tweak debug	Thomas White
	Can't use STATUS here if STATUS is also used inside residual() - this leads to a nice deadlock.
2015-04-20	Remove debug	Thomas White

2015-04-20	Tweak weightings and cutoffs	Thomas White

2015-04-20	Split x and y terms in residual	Thomas White

2015-04-20	Make panel assignments invariant during prediction- and post-refinement	Thomas White
	Reflections appearing and disappearing are problematic when trying to do a least-squares refinement. Therefore, assume that reflections stay on panel and keep them under consideration even if their partialities go to zero (i.e. they drift off Bragg). This should stabilise both refinements, and simplifies quite a lot of code. Collateral "damage": the old "select_intersection()" is now gone.
2015-04-20	WIP on refinement guts	Thomas White

2015-04-20	Add gradient test program and fix gradients	Thomas White

2015-04-20	Add prediction refinement	Thomas White

2015-04-20	pattern_sim: Normalise spectrum to avoid intensity decreasing with number of ↵	Thomas White
	samples
2015-04-20	partial_sim: Initialise stuff	Thomas White

2015-04-20	partial_sim: Complain if geometry contains HDF5 references	Thomas White