CrystFEL - Data processing for serial crystallography

Age	Commit message (Collapse)	Author
2012-10-12	Add missing newlines	Thomas White

2012-10-05	Fussiness	Thomas White

2012-10-05	compare_hkl: Fix obvious bug	Thomas White

2012-10-05	compare_hkl: Add --shell-file, update documentation	Thomas White

2012-10-05	compare_hkl: Complete rework	Thomas White

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

2012-09-04	Fix widespread bug-hiding problem with command line argument handling	Thomas White

2012-08-08	Fix buglets spotted by new compiler on Fedora 17	Thomas White

2012-07-03	compare_hkl: Use separate denominators when calculating R-factors in shells	Thomas White
	If there are large changes in intensity between shells, the R-factor should reflect it. The old formulation did not have that property. Weak resolution shells would show up with low R-factors because they contributed very little to the overall R-factor, but the actual correspondence between intensities could still be very poor.
2012-07-03	compare_hkl: Improve column header	Thomas White

2012-07-03	compare_hkl: Show resolution shell centre in Angstroms as well	Thomas White

2012-07-02	compare_hkl: Add --sigma-cutoff option	Thomas White

2012-05-30	Formatting	Thomas White

2012-03-12	compare_hkl: Ignore case of --shells argument	Thomas White

2012-03-12	Update copyright notices to show actual contribution years	Thomas White

2012-03-09	Update licence notices in line with recommendations from TT	Thomas White

2012-03-06	Rename old array functions to get them out of the way of API consistency	Thomas White

2012-03-01	More documentation work	Thomas White

2012-02-22	GPLv3 boilerplate comments	Thomas White

2012-02-22	compare_hkl: Put correct column heading in shells.dat	Thomas White

2012-02-22	compare_hkl: Fix Rsplit calculation	Thomas White

2012-02-22	compare_hkl: Take --shells=<FoM> to plot other FoMs in resolution shells	Thomas White

2012-02-22	compare_hkl: Record actual number of (common) reflections used for Rsplit in ↵	Thomas White
	each shell
2012-02-22	Use the right scaling factor for Rsplit	Thomas White

2012-02-22	Simplify compare_hkl and check_hkl, remove second to last use of "list types"	Thomas White

2012-02-22	compare_hkl: Calculate Rsplit in shells, and say what it is	Thomas White

2012-02-22	Add a reminder	Thomas White

2012-02-22	Compiles (with warnings)	Thomas White

2012-02-22	Remove anything which deletes a reflection or optimises a RefList	Thomas White

2012-02-22	Formatting	Thomas White

2012-02-22	Add "-u" (unity scaling) option to compare_hkl	Thomas White

2012-02-22	compare_hkl: Don't crash if scale factor can't be found	Thomas White

2012-02-22	compare_hkl: Fix appalling scaling behaviour	Thomas White

2012-02-22	compare_hkl: Use the correct scaling factor for graph (which shows R1(I))	Thomas White

2012-02-22	compare_hkl: Make sure ratios go in the file	Thomas White

2012-02-22	compare_hkl: Write ratios earlier	Thomas White

2012-02-22	More debugging	Thomas White

2012-02-22	Remove old reflections.h	Thomas White

2012-02-22	Remove all remaining PDB rendering stuff	Thomas White

2012-02-22	Fix previous commit	Thomas White

2012-02-22	compare_hkl: Don't lie	Thomas White

2012-02-22	Tighter symmetry check	Thomas White

2012-02-22	process_hkl: Implement Rick's ESD calculation	Thomas White

2012-02-22	compare_hkl: Remove redundant values	Thomas White

2012-02-22	Move 'characterisation' stuff to a new program, check_hkl	Thomas White

2012-02-22	compare_hkl: Take resolution limits on command line	Thomas White

2012-02-22	Read beam parameters from file (where appropriate)	Thomas White

2012-02-22	compare_hkl: Display numbers of reflections and measurements	Thomas White

2012-02-22	compare_hkl: Fix displayed scale factors	Thomas White

2012-02-22	compare_hkl: Calculate and display SNR values	Thomas White