CrystFEL - Data processing for serial crystallography

Age	Commit message (Collapse)	Author
2021-01-06	partialator: Reject crystals with obviously too large profile radii	Thomas White
	The criterion for "too large" is 20% of the 1/d value for the lowest reflection which is not systematically absent according to the centering. A profile radius larger than the 1/d value for a reflection will crash the xsphere partiality model, and some visualisation shows that this is a clearly non-physical situation. The profile radius shouldn't be anywhere near the inter-Bragg spacing for reasonable data. However, feedback shows that this is happening quite often in real data, probably due to bad indexing.
2020-07-29	Remove config.h from libcrystfel headers	Thomas White
	Same reason as removing them from tests. Also, libcrystfel might be used in projects which have HAVE_CONFIG_H defined.
2020-07-29	Add cell_print_oneline	Thomas White

2020-07-29	Const-cleaning	Thomas White

2020-01-10	Mass update of copyright dates	Thomas White

2019-08-22	Remove match_cell and match_cell_ab	Thomas White

2019-08-22	Tidy up comparison function definitions	Thomas White
	Especially, remove the last ltl/atl tolerance values.
2019-08-22	Framework for new unit cell comparison function	Thomas White

2019-08-16	Clarify cell vs reference in comparison functions. Also reindexed vs permuted	Thomas White

2019-08-16	Add compare_permuted_cell_parameters	Thomas White

2019-08-16	compare_cell_parameters and compare_reindexed_cell_parameters: Accept 6 ↵	Thomas White
	tolerances
2019-05-07	Update all source code comments to Doxygen format	Thomas White

2019-04-05	cell_tool: Add --csl	Thomas White

2019-03-11	Keep track of the "un-centering" matrix, as well as the "centering"	Thomas White
	This makes it easy to reverse the transformation, if required, which it is when comparing centered cells.
2019-03-11	New way of doing cell comparisons, similar to match_cell()	Thomas White

2019-03-11	Fix tolerances (again)	Thomas White

2019-03-11	Use IntegerMatrix for all unit cell transformations	Thomas White
	Get rid of UnitCellTransformation, a thin wrapper which didn't do anything.
2019-03-11	Simplify the output of cell_print()	Thomas White

2019-03-11	Change horribly confusing names of unit cell comparison functions	Thomas White
	cells_are_similar -> compare_cell_parameters_and_orientation compare_cells -> compare_reindexed_cell_parameters_and_orientation cell_tool.c:cells_the_same -> cellutils.c:compare_cell_parameters All comparisons now done in real space, checking that centering is the same, and without uncentering anything.
2019-03-11	Remove cells_are_similar() from API	Thomas White
	There are two functions with this name. Avoid confusion.
2019-03-11	cell_tool: Use libcrystfel cells_are_similar() function	Thomas White

2017-09-07	Add compare_cells() (and use it in whirligig)	Thomas White

2016-10-19	Add transform_cell_gsl()	Thomas White

2015-11-27	indexamajig: Write target unit cell into stream	Thomas White

2015-02-11	Move cell_get_volume from asdf.c to cell_utils.c	Alexandra Tolstikova

2014-09-19	Introduce CrystFEL unit cell files	Thomas White

2014-06-13	Add extern "C" for C++ compatibility	Chuck

2014-03-03	Add missing includes	Thomas White
	Reported by Rick Kirian
2013-04-18	Read/write lattice type, centering and unique axis information from/to stream	Thomas White

2013-01-04	Tidy up documentation	Thomas White

2012-10-02	Finishing tweaks for uncentering stuff	Thomas White
	Today, I have mostly been having my life made difficult by the PDB's invention of "H centering".
2012-10-02	WIP on cell transformations	Thomas White

2012-10-02	Uncenter the cell before using it for indexing stuff	Thomas White

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