CrystFEL - Data processing for serial crystallography

Age	Commit message (Collapse)	Author
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	Use the correct reference list for selection	Thomas White

2013-07-31	Tweak rejection criteria	Thomas White

2013-07-31	Count reflections gained and lost during initial partiality calculation	Thomas White

2013-07-31	Count number of "dud" crystals each iteration, not just at the end	Thomas White

2013-07-31	Tweak error path	Thomas White

2013-07-31	Require scaling convergence to 5%, not 1%	Thomas White

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

2013-07-31	partialator: New convergence criterion for scaling	Thomas White
	Instead of stopping iteration when the absolute value of any scaling factor changes by more than a certain (small) amount, calculate the ratios of the scaling factors to their previous values, and stop when no scaling factor changes by more than 1% compared to the mean ratio. This method is robust against "drifting" of the scale factors when the partiality estimates are poor.
2013-07-31	hdfsee: Show simple rings even if not using detector geometry	Thomas White

2013-07-26	partialator: Use Lorentz factor in partiality histograms	Thomas White

2013-07-25	Tweak comments	Thomas White

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

2013-07-25	partialator: Simplify scaling	Thomas White

2013-07-22	compare_hkl: Fix typo	Thomas White

2013-07-04	Tidy up unused variables	Thomas White

2013-07-04	process_hkl: Fix sigma calculation (again)	Thomas White
	Bessel's correction isn't needed here. Or, at least it hasn't been used in the past.
2013-06-30	compare_hkl: Tidy up and fix CRDano	Thomas White

2013-06-29	compare_hkl: For 'CRDano', use known mean of zero	Thomas White

2013-06-29	Added rms correlation ratio to compare_hkl (CRDano)	Lorenzo Galli

2013-06-29	partialator: Initialise mosaicity	Thomas White

2013-06-28	partial_sim: Initialise crystal mosaicity, num peaks and num saturated peaks	Thomas White

2013-06-20	compare_hkl: Fix quoted number of rejected reflections	Thomas White

2013-06-10	indexamajig: Fix default integration method	Thomas White

2013-06-06	Set default integration method to "rings-nocen"	Thomas White
	Applying the Principle of Least Surprise before merging to master. Previously, it was rings-cen.
2013-06-02	hdfsee: Fix crash when clicking a found peak with numbers window open	Thomas White

2013-06-01	Fix multiple small memory leaks	Thomas White

2013-06-01	Fix memory leak (properly)	Thomas White

2013-06-01	Fix memory leaks	Thomas White

2013-06-01	hdfsee: Show panel number in numbers window	Thomas White

2013-06-01	Set mosaicity to zero	Thomas White
	Later on, we'll make it refined
2013-05-30	Fix previous commit	Thomas White

2013-05-30	Update docs	Thomas White

2013-05-30	indexamajig: Get rid of --use-saturated, because it's now the default	Thomas White

2013-05-30	process_hkl: Add --min-snr	Thomas White

2013-05-30	indexamajig: Get rid of --min-integration-snr	Thomas White
	This functionality belongs in process_hkl.
2013-05-30	Validate peaks using peak search SNR, not integration SNR	Thomas White

2013-05-30	Tidy up	Thomas White

2013-05-28	--use-saturated should be the default	Thomas White

2013-05-27	Individual panel arrays	Thomas White

2013-05-27	Initial integration stuff	Thomas White

2013-05-27	hdfsee: Fix display of feature names (indices) when using geometry	Thomas White

2013-05-15	Disable weighting (for now) and update ChangeLog	Thomas White

2013-05-15	Move polarisation_correction() to geometry.c	Thomas White

2013-05-15	process_hkl: Do polarisation correction before determining scale factors	Thomas White
	Also, do the polarisation correction correctly..
2013-05-15	process_hkl: Use weighting according to sigmas, and use better variance formula	Thomas White

2013-05-03	compare_hkl: Tidy up and update docs	Thomas White

2013-05-02	compare_hkl: Calculate CCano only from acentric reflections	Thomas White

2013-05-02	get_hkl: Tidy up output from --trim-centrics	Thomas White