| Age | Commit message (Collapse) | Author | |
|---|---|---|---|
| 2017-10-02 | indexamajig(1): Add --temp-dir | Thomas White | |
| 2017-10-02 | Formatting fussiness | 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. | |||
| 2017-09-27 | remove_flagged_crystals(): Remove multiple bad crystals | Thomas White | |
| A silly bug | |||
| 2017-09-27 | Add an assertion | Thomas White | |
| 2017-09-27 | Don't reset user flag to zero | Thomas White | |
| Some indexing methods may set it to 1 already, in which case we should take the hint. | |||
| 2017-09-26 | Remove unnecessary counting | Thomas White | |
| 2017-09-22 | Don't send detector and tolerance to indexing methods | Thomas White | |
| The detector isn't used for anything, and the tolerance is none of their business. | |||
| 2017-09-22 | Fix silly mistake in friendly_indexer_name() | Thomas White | |
| 2017-09-22 | Remove "latt" from asdf | Thomas White | |
| For consistency with other algorithms, let's standardise on an interpretation where just using the centering information in combination with the cell parameters, which is always necessary, doesn't qualify as "cell-latt", only "cell-nolatt". "Using lattice type as prior information" implies that asdf would behave differently with cell-nolatt, if it were allowed, than with cell-latt. It wouldn't. It just needs the centering to calculate the cell volume correctly. Note that TakeTwo, by contrast, would behave differently in this hypothetical case, because it uses the lattice type to exclude certain solutions by symmetry. Mosflm allows all four combinations of no/cell and no/latt, and does indeed behave differently between them. | |||
| 2017-09-22 | asdf uses prior information for its volume constraint, so add "cell" to the ↵ | Thomas White | |
| method | |||
| 2017-09-22 | cell_explorer: Also count cells excluded by the choice of indexing method | Thomas White | |
| 2017-09-22 | Set --no-check-cell if cell is given, but has no parameters | Thomas White | |
| 2017-09-22 | cell_new_from_cell(): Don't try to duplicate non-existent parameters | Thomas White | |
| 2017-09-22 | Mosflm: Recognise P3 as hexagonal P lattice | Thomas White | |
| 2017-09-22 | Don't write cell parameters to the stream if we don't have them | Thomas White | |
| 2017-09-22 | If no cell params or lattice type, set nocell/nolatt at top level | Thomas White | |
| Another thing that the indexing engines don't need to be repsonsible for. | |||
| 2017-09-22 | Stop if an indexing method can't be prepared | 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: Friendlier display of indexing engines | 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 | |
| 2017-09-21 | Remove old warning for XDS indexing | Thomas White | |
| 2017-09-21 | Fix crash in XDS indexing | Thomas White | |
| 2017-09-21 | Group the options in indexamajig(1) according to processing stage | Thomas White | |
| 2017-09-21 | Update man page for new indexing options | Thomas White | |
| 2017-09-19 | geoptimiser: Remove deprecated option from --help | Thomas White | |
| 2017-09-19 | get_ev_based_value(): Allow integer types | Thomas White | |
| Just an oversight in the test | |||
| 2017-09-17 | Fix logic for new indexing options | Thomas White | |
| 2017-09-17 | indexamajig: --help documentation for new indexing options | Thomas White | |
| 2017-09-16 | Fix return of unit cells from asdf and dirax | Thomas White | |
| 2017-09-15 | Merge branch 'tom/index' | Thomas White | |
| 2017-09-15 | Perform peak alignment check if requested | Thomas White | |
| 2017-09-15 | Add restraints to prediction refinement | Thomas White | |
| 2017-09-15 | Remove debugging statement | Thomas White | |
| 2017-09-15 | Better way of displaying cell check option | Thomas White | |
| 2017-09-15 | Record indices in write_pairs() (debugging function) | Thomas White | |
| 2017-09-15 | Factorise cell parameter check | 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. | |||
| 2017-09-15 | Fix uninitialised peak counts (for info in stream only) | Thomas White | |
| 2017-09-15 | hdfsee(1): Document --rigid-groups | Thomas White | |
| 2017-09-07 | Use compare_cells() for multi-lattice indexing | Thomas White | |
| 2017-09-07 | remove_flagged_crystals(): Return the number of crystals removed | Thomas White | |
| 2017-09-07 | Add compare_cells() (and use it in whirligig) | Thomas White | |
| 2017-09-07 | Add scripts/peakogram-stream to Makefile.am | Thomas White | |
| 2017-09-06 | tests/transformation_check: Check lots more things | 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 | |
 |
index : CrystFEL | |
| Data processing for serial crystallography | Thomas White |
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