CrystFEL - Data processing for serial crystallography

Age	Commit message (Collapse)	Author
2018-02-27	Replace debugging code with an assert()	Thomas White

2018-02-27	Halve the bandwidth	Thomas White

2018-02-27	Take modulus of profile radius	Thomas White
	A bit nasty, but avoids lots of NANs
2018-02-27	Set integral range to +/- 3 sigma	Thomas White

2018-02-27	Add an assertion	Thomas White

2018-02-27	do_integral(): Take part of the filename as input for debug	Thomas White

2018-02-27	Horrible restraint to keep algorithm from drifting too far	Thomas White

2018-02-27	Minimisation fixes	Thomas White

2018-02-27	Minimisation debug stuff	Thomas White

2018-02-27	Remove old code (and formatting)	Thomas White

2018-02-27	New clamping criteria	Thomas White

2018-02-27	Record khalf for reflections	Thomas White

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

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

2016-12-09	New polarisation correction	Thomas White

2016-11-10	Fix 2theta calculation in locate_peak_on_panel()	Thomas White
	The "improved" version of this, added by 9b1374999 along with the new spot position calculation for out-of-plane panels, actually assumes that the reflection is at the exact Bragg condition. This is not a valid assumption here. The difference is small (<0.5 px), but made the prediction refinement gradients completely wrong.
2016-07-29	Use z components in prediction	Thomas White

2016-07-01	No more slab-relative coordinates in libcrystfel	Thomas White

2016-02-29	Don't predict 000	Thomas White

2015-08-14	Improve random partiality model	Thomas White

2015-07-21	Add random partiality model	Thomas White

2015-07-21	Update API docs	Thomas White

2015-07-17	partialator: Detect (in a terminal fashion) NAN partialities	Thomas White

2015-07-08	Move {x,y}_gradient to geometry.h	Thomas White

2015-05-19	Don't attempt to calculate detector position without detector structure	Thomas White
	... even if we are updating a previous reflection
2015-04-20	Add GPARAM_DETX, GPARAM_DETY and GPARAM_CLEN	Thomas White

2015-04-20	Fussiness	Thomas White

2015-04-20	Factorise dr/da part of gradient calculation for PR and prediction	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.
2014-11-28	Check for rlow<rhigh only if reflection is excited and hits detector	Thomas White

2014-11-26	Add find_intersections_to_res()	Thomas White

2014-10-23	Increase verbosity	Thomas White

2014-10-14	Final gradients for SCGaussian	Thomas White

2014-10-06	WIP on SCGaussian gradients	Thomas White

2014-09-30	Cell vector gradients for SCSphere, plus general rationalisation	Thomas White

2014-09-25	WIP on prediction	Thomas White

2014-09-25	Remove "sphere", "thin" and "gaussian" partiality models, add "scgaussian"	Thomas White

2014-09-22	Beam file removal, part I	Thomas White

2014-08-11	Add scsphere partiality model	Thomas White

2014-06-27	Add Thin Ewald Sphere model	Thomas White

2014-06-25	Pass the partiality model down from the API level	Thomas White

2014-06-24	Add unlikely()	Thomas White

2014-05-23	Simplify criteria for scaling, merging and PR	Thomas White

2014-05-20	Add Gaussian partiality model	Thomas White

2014-04-15	Calculate partialities even without geometry file	Thomas White

2014-02-17	Lorentz factor should not depend on profile radius	Thomas White

2013-11-29	RefList: Increase maximum index to 511	Thomas White

2013-09-13	Stop PR when mean change in partiality is small	Thomas White

2013-07-31	Revert refinement step if too many reflections are lost	Thomas White

2013-07-24	update_partialities(): Scratch list no longer needed	Thomas White