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path: root/libcrystfel/src/xds.c
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2020-01-10Mass update of copyright datesThomas White
2019-10-22xds: Fix handedness of unit cellThomas White
Previously, it was wired to give left handed cells.
2019-05-07Update all source code comments to Doxygen formatThomas White
2018-11-27xds: Tune indexing parametersThomas White
2018-09-27xds: Also set unique axisThomas White
2018-09-27xds: Increase INDEX_ERROR to 0.2Thomas White
As recommended on the XDSwiki for indexing individual frames
2018-09-27xds: Read final unit cell, i.e. after refinementThomas White
Previously, we were reading the very first cell to pop out of the indexing, which didn't even follow the requested lattice type or centering. The result was that XDS couldn't index any centered lattices without cell combinations.
2018-09-27xds: Fix space groups for latticesThomas White
2018-06-14Add CMake check to find forkpty()Thomas White
2018-04-25xds: Remove a lot of unnecessary codeThomas White
2018-04-25xds: Check that the vectors make senseThomas White
2018-04-24xds: Remove messages about "Couldn't open 'IDXREF.LP'"Thomas White
They just mean "couldn't be indexed"
2018-01-19xds: Remove debugThomas White
2018-01-19Clean up indexing method probesThomas White
2017-10-23Check return values from fread/fgetsThomas White
2017-10-18Check that dirax,felix,mosflm or xds are available at the startThomas White
Avoids a confusing error message later.
2017-10-18Add probe functions to indexing methodsThomas White
2017-09-22Don't send detector and tolerance to indexing methodsThomas White
The detector isn't used for anything, and the tolerance is none of their business.
2017-09-22If no cell params or lattice type, set nocell/nolatt at top levelThomas White
Another thing that the indexing engines don't need to be repsonsible for.
2017-09-21Remove old warning for XDS indexingThomas White
2017-09-21Fix crash in XDS indexingThomas White
2017-09-15Simplify indexing optionsThomas White
mosflm-cell-nolatt-multi-refine-bad-retry.... it's all getting a bit too much. This commit removes all the options from the indexing methods except for the prior information flags (cell/nocell and latt/nolatt). All the other options are now given at the top level with new indexamajig options, e.g. --no-multi and --no-retry. They are applied to all the methods, with no option to (say) use retry for one method and not for another. This also makes the "peak alignment test" default to OFF, and multi-lattice indexing ON. I think that the prediction refinement does a good enough job of checking the validity of indexing solutions, allowing us to turn off the alignment check which filters out most multi-lattice solutions.
2017-08-31Set first argument when running external indexing programsThomas White
This makes sure they have names in process displays.
2017-07-06Indexing engine private pointers should be void *Thomas White
2016-10-07XDS: Clean up open filesThomas White
2016-09-07XDS: Create fake coordinates taking detector z into accountThomas White
2016-07-01No more slab-relative coordinates in libcrystfelThomas White
2016-01-30indexamajig: Restore --no-refineThomas White
Adds yet another indexing option...
2016-01-08Make indexing "retry" and "multi" optionalThomas White
2015-07-17Check that XDS indexing options are compatible with data provided by the userValerio Mariani
2015-07-13Slow down the status updatesThomas White
2015-06-26Plug some more leaksThomas White
2014-09-22Beam file removal, part IThomas White
2014-09-19Introduce CrystFEL unit cell filesThomas White
2014-08-19Use Gnulib forkpty()Thomas White
2014-08-18gettimeofday() fixesThomas White
2014-05-08Strip out the "prepare_filename" rubbishThomas White
2014-04-16Tidy up XDS indexingThomas White
2013-10-29Change XDS default behaviour, and add warning about axis permutationThomas White
2013-07-05Fix uninitialised rval for XDSThomas White
2013-05-14Fixed clen for XDSCornelius Gati
Conflicts: libcrystfel/src/xds.c
2013-02-22FussinessThomas White
2013-02-21XDS magic numbers - these seem to work betterThomas White
2013-02-21Enforce option requirements for XDSThomas White
2013-02-21Tidy up write_inp()Thomas White
2013-02-21Provide lattice/cell to XDS only if requestedThomas White
2013-02-19WhitespaceThomas White
2013-02-19Disable XDS output unless requestedThomas White
2013-02-19Merge remote-tracking branch 'bitwiz/cornelius/xds' into tom/multicrystalThomas White
2013-02-19Add -cell and -nocell to indexing methodsThomas White
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