Age | Commit message (Collapse) | Author | |
---|---|---|---|
2017-10-02 | indexamajig: Tidy up --help | Thomas White | |
2017-10-02 | indexamajig: Add missing documentation for --check-peaks | Thomas White | |
2017-09-27 | Fix check for CBF files in event enumeration | Thomas White | |
-1 means the check failed. | |||
2017-09-22 | cell_explorer: Also count cells excluded by the choice of indexing method | Thomas White | |
2017-09-22 | indexamajig: Avoid segfault when no unit cell given | Thomas White | |
2017-09-21 | hdfsee: Increase ring thickness | Thomas White | |
2017-09-21 | indexamajig: Hide indexing setup messages if we are not indexing anything | Thomas White | |
2017-09-21 | Improve error message when using CBF files and a multi-event geometry | Thomas White | |
2017-09-19 | geoptimiser: Remove deprecated option from --help | Thomas White | |
2017-09-17 | Fix logic for new indexing options | Thomas White | |
2017-09-17 | indexamajig: --help documentation for new indexing options | Thomas White | |
2017-09-15 | Simplify indexing options | Thomas 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. | |||
2017-09-07 | Add compare_cells() (and use it in whirligig) | Thomas White | |
2017-09-05 | cell_explorer: Display number of matching cells (on terminal) | Thomas White | |
2017-09-04 | pattern_sim: Add crystal orientation and basis vectors | Thomas White | |
2017-08-09 | partial_sim: Add missing bracket in parameter list | Thomas White | |
2017-07-24 | TakeTwo options again | Thomas White | |
2017-07-21 | Tidy up some warnings | Thomas White | |
2017-07-21 | Fix option names for TakeTwo parameters | Thomas White | |
2017-07-20 | Change units for TakeTwo parameters | Thomas White | |
2017-07-07 | Convert angle_tol to radians | Thomas White | |
2017-07-06 | indexamajig: Add TakeTwo-specific options | Thomas White | |
2017-07-06 | Temporary fix for the geomptimiser not being able to optimize whole quadrants | Valerio Mariani | |
2017-07-04 | Add a missing newline | Thomas White | |
2017-07-04 | pattern_sim: Try all OpenCL platforms to find one with a GPU device | Thomas White | |
2017-06-27 | indexamajig: Add --no-non-hits-in-stream | Thomas White | |
2017-06-21 | indexamajig: Add --min-peaks (basic hitfinder functionality) | Thomas White | |
2017-06-21 | Merge branch 'tom/cbf' | Thomas White | |
2017-05-16 | check_hkl: Calculate resolution of reflection with asymmetric indices for ↵ | Thomas White | |
both possible and measured reflections Previously, it used whichever indices it found first. This made the resolutions different enough to fall into different bins, and screwed up the completeness (fortunately, rarely). | |||
2017-05-03 | hdfsee: Use new imagefile API | Thomas White | |
2017-05-03 | HDF5 reading under new API | Thomas White | |
2017-05-02 | Skeleton image file API | Thomas White | |
2017-05-02 | Initial CBF stuff | Thomas White | |
2017-03-31 | geoptimiser: Show peak information when there is a problem | Thomas White | |
2017-03-31 | geoptimiser: Fix rounding of peak coordinates | Thomas White | |
Peak locations in CrystFEL are considered to be distances (in pixel units) from the corner of the detector panel. Therefore, simple truncation is needed here, not rounding. | |||
2017-03-31 | Offset peak locations from HDF5 or CXI files by 0.5,0.5 | Thomas White | |
CrystFEL considers all peak locations to be distances from the corner of the detector panel, in pixel units, consistent with its description of detector geometry. In contrast, Cheetah considers the peak locations to be pixel indices in the data array. Therefore, a half-pixel offset is needed when importing the peak lists. For users who need the old behaviour, this commit adds a new option indexamajig --no-half-pixel-shift to deactivate this offset. | |||
2017-03-24 | indexamajig: Format --help and fix typos | Thomas White | |
2017-03-24 | Merge branch 'valerio/peakfinder8' | Thomas White | |
2017-03-13 | Added saturated peak management to peakfinder8 | Valerio Mariani | |
2017-03-13 | process_hkl: Add event IDs to "--stat" file | Thomas White | |
2017-03-11 | Removed unused iarg | Valerio Mariani | |
2017-03-10 | Fixed a couple of bugs reported by Tom | Valerio Mariani | |
2017-03-10 | compare_hkl: Add --min-measurements | Thomas White | |
2017-03-10 | Peakfinder8 in CrystFEL. Same results as Anton's Cheetah implementation | Valerio Mariani | |
2017-03-08 | Allow indexing system to store its own data, independently of indexing methods | Thomas White | |
Previously, the indexing system passed all the information on to the indexing engines and then forgot about it. That made it difficult to do things like check the indexing solution after prediction refinement, because the target unit cell was unavailable. Now, the indexing system itself can keep some information. Of course, that information includes the private pointers for the indexing engines themselves. I took the opportunity to streamline things a little bit. The caller can now set up the indexing system in one step, without having to separately parse the names of the indexing methods. The caller no longer has to keep track of a separate array of methods, instead just one structure which contains everything. | |||
2017-03-08 | compare_hkl: Fix combination of sigma(I) values for d1sig and d2sig | Thomas White | |
2017-03-03 | cell_explorer: Better handling of dodgy cells | Thomas White | |
2017-03-03 | partialator: Better handling of very small number of crystals | Thomas White | |
2017-03-03 | geoptimiser: Call g_type_init() only if GLib is old | Thomas White | |
2017-02-24 | get_hkl: Fix a segfault when there are no notes | Thomas White | |