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path: root/libcrystfel/src/reflist-utils.c
AgeCommit message (Collapse)Author
2023-09-12Fix nominal space group when exporting MTZ in PG 2Thomas White
2021-10-20Remove unused parameterThomas White
2021-10-20Fix column types for plain MTZ outputThomas White
2021-10-20Add "plain" MTZ file layout, distinct from "Bijvoet" layoutThomas White
Closes: https://gitlab.desy.de/thomas.white/crystfel/-/issues/52
2021-10-20Set crystal name in MTZ filesThomas White
When using the GUI, it will be set to the corresponding indexing result name.
2021-08-20write_to_xds: Add missing 'S' (!)Thomas White
2021-07-23Add field widths to all sscanf("%s")Thomas White
2021-07-22Clean up shadowed variablesThomas White
2021-07-21Reduce variable scope where possibleThomas White
2021-05-17Resolve FIXMEs and TODOsThomas White
Prompted by the article linked below, for each FIXME/TODO I've either referenced an issue in the tracker, or removed it if it's not worth fixing. https://schleiss.io/plotting-source-code-todos-for-open-source-projects
2021-04-30write_to_mtz: Fix column names and typesThomas White
2021-04-27Rename libcrystfel's config.h to libcrystfel-config.hThomas White
This removes the big potential for confusion, which has happened several times (see e.g. 095cbebaf6). It also fixes in-tree builds with CMake (but seriously, always use out-of-tree builds). Fixes #2.
2021-03-16Move MTZ and XDS export to libcrystfelThomas White
2021-03-05Mass update of copyright dates in source code commentsThomas White
2020-10-27Fix a possibly overrun stringThomas White
2020-07-29New way of injecting version informationThomas White
Also, this fixes some incorrect headers and adds --version flags to programs which didn't yet have them.
2020-01-10Mass update of copyright datesThomas White
2019-05-07Update all source code comments to Doxygen formatThomas White
2018-09-10Make sure reflection contribution list gets freedThomas White
2018-03-13Nicer way of getting Git revisionThomas White
This will need a separate way to create the official releases (which shouldn't have Git revisions attached)
2017-10-19Add read_reflections_2() to APIThomas White
New version for reading the symmetry as well
2017-10-12Remove write_reflections_to_file() from APIThomas White
It's there because it used to be used to write the reflections into the stream. Therefore there was a need for a function to write a bare list of reflections to a file, with no headers. Since then, the stream and merged reflection file formats have diverged, so there's no use for this other than to confuse people.
2017-03-13Ask for C99 in configure.ac, remove weird C99 declarationsThomas White
2016-08-16Add reflist_add_command_and_version()Thomas White
2016-08-16Read and write RefList notes to reflection list filesThomas White
2015-04-20Make panel assignments invariant during prediction- and post-refinementThomas 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.
2014-11-14Revert update of old deprecated reflection list formatThomas White
Since nothing writes in this modified format (including fs, ss and pn), it makes no sense to be able to read it. This commit reverts a small part of c194bf77.
2014-09-05Updated author listsValerio Mariani
2014-09-05Refactoring of peaks and reflections I/OValerio Mariani
2014-03-03Formatting fussinessThomas White
2014-03-03New reflection list formatThomas White
2013-01-04Tidy up documentationThomas White
2012-10-02Move unit cell utility stuff to separate moduleThomas White
2012-07-03Fix the detection of an actual phase value in a reflection listThomas White
2012-03-12Remove unused variablesThomas White
2012-03-12Update copyright notices to show actual contribution yearsThomas White
2012-03-09Update licence notices in line with recommendations from TTThomas White
2012-03-09process_hkl: Add polarisation correction and improved scalingThomas White
2012-03-09Fix documentationThomas White
2012-03-07Fix bug in reflection list loadingThomas White
2012-03-06Don't include 1/d in reflection lists, because it's pointlessThomas White
2012-03-06Rename old array functions to get them out of the way of API consistencyThomas White
2012-02-22GPLv3 boilerplate commentsThomas White
2012-02-22Hooks for estimation of maximum resolution for each imageThomas White
2012-02-22FussinessThomas White
2012-02-22Add _GNU_SOURCE to get M_PI as wellThomas White
2012-02-22Add #define _ISOC99_SOURCE to get INFINITY and NANThomas White
2012-02-22Move the "indexed reflection array" thing to where it can't do any harmThomas White
2012-02-22Move a load more stuff into libcrystfelThomas White
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