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
2015-04-20	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.
2015-03-13	Move solve_svd() to utils	Thomas White

2014-10-14	Final gradients for SCGaussian	Thomas White

2014-10-06	WIP on SCGaussian gradients	Thomas White

2014-10-02	div and R gradients for SCSphere	Thomas White

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

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

2014-09-25	WIP on gradients for scsphere	Thomas White

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

2014-06-26	Rationalise counting of filtered eigenvalues	Thomas White

2014-06-05	partialator: Use reciprocal scale factors instead	Thomas White

2014-05-26	partialator: Restore minimum number of observations for PR	Thomas White

2014-05-23	Fix flags	Thomas White

2014-05-23	Remove old error	Thomas White

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

2014-05-23	Outlier rejection and new convergence criterion for scaling	Thomas White

2014-05-22	partialator: Recalculate partialities after reverting crystal	Thomas White

2014-05-22	partialator: Be less verbose about SVD failures	Thomas White

2014-05-20	Add Gaussian partiality model	Thomas White

2014-03-18	partialator: Show more information about dud patterns	Thomas White

2014-02-22	Back up profile radius and div before iteration	Thomas White

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

2013-12-03	Don't use Bricogne rescaling procedure for PR	Thomas White

2013-10-11	Add solve_svd_noscale()	Thomas White

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

2013-09-13	Debugging/verbosity tweaks	Thomas White

2013-09-13	partialator: Debugging stuff	Thomas White

2013-08-12	Improve show_matrix_eqn()	Thomas White

2013-08-01	Count filtered eigenvalues	Thomas White

2013-08-01	Count filtered eigenvalues	Thomas White

2013-08-01	Fix Lorentz gradient	Thomas White

2013-08-01	Fix previous commit	Thomas White

2013-07-31	Flag crystals as "not refined" if SVD fails	Thomas White

2013-07-31	Refine divergence as well	Thomas White

2013-07-31	Rescale the normal equations before attempting to solve	Thomas White
	This makes the equations insensitive to the units of the parameters being refined, e.g. divergence is measured in radians whereas cell parameters are measured in m^-1, so their magnitudes are very different.
2013-07-31	Tweak rejection criteria	Thomas White

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

2013-07-25	partialator: Account for Lorentz factor	Thomas White

2013-04-17	Fix radius gradient	Thomas White

2013-04-17	Fix div gradients	Thomas White

2013-04-17	Work on post refinement	Thomas White
	Brought across from "tom/pr" Conflicts: src/indexamajig.c src/post-refinement.c tests/pr_gradient_check.c
2013-04-17	Add the possibility to have different partiality models	Thomas White

2013-02-06	Stuff	Thomas White

2013-02-06	Stuff for partialator	Thomas White

2012-10-02	Remove unnecessary includes	Thomas White

2012-10-02	Move unit cell utility stuff to separate module	Thomas White