Age | Commit message (Collapse) | Author | |
---|---|---|---|
2021-01-11 | create_badmap: Break down into subroutines | Thomas White | |
Also flips the order of iteration for (negligibly) better performance | |||
2021-01-11 | resolution(): Use reciprocal representation instead of crystallographic | Thomas White | |
This avoids a load of trigonometric functions. In combination with the new UnitCell representation caching, this gives a significant speedup for cases where resolution() is called in a loop. | |||
2021-01-11 | UnitCell: Store all representations once they're calculated | Thomas White | |
Previously, the "getter" functions would re-calculate the requested representation every time they were called. This could mean doing a matrix inversion in the middle of a tight loop, wasting loads of time. Now, it stores the calculated values and returns them directly next time. Setting the parameters invalidates the values for all representations other than the one given. The cost of doing this is that the cell can no longer be "const" in the getter functions. This tracked through some other code, but nothing too severe. | |||
2021-01-08 | detgeom_transform_coords: Avoid using trigonometric functions | Thomas White | |
2021-01-08 | Update documentation about max_adu, and add a warning | Thomas White | |
2021-01-08 | Remove "Bragg proximity check" during integration | Thomas White | |
This test is meant to avoid integrating overlapping spots. It does a very bad job of this, because it doesn't take into account whether the neighbouring reflection is actually excited, or even allowed by the lattice. It's even worse when we think about wide bandwidth. | |||
2021-01-08 | locate_peak_on_panel: Check sign of 1/mu | Thomas White | |
2021-01-07 | GUI: Basic labelling of reflections | Thomas White | |
Lots of improvements still to be made here, such as using the "real" Cairo text API as well as using proper overlines for negative indices. | |||
2021-01-07 | Formatting fussiness | Thomas White | |
2021-01-06 | Use smaller profile radii in partialator tests | Thomas White | |
The radii are not used (the tests only check scaling), but must pass the newly-added check in partialator. | |||
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. | |||
2021-01-05 | Fix comment typo | Thomas White | |
2021-01-05 | Remove unused structure member | Thomas White | |
2020-12-18 | Improve documentation about file-based peak lists | Thomas White | |
2020-12-18 | Add peak_list_type in geometry file | Thomas White | |
2020-12-16 | Add flag_{lessthan,morethan,equal} in geometry file | Thomas White | |
This makes handling Pilatus/Eiger files, as well as many others, much easier. | |||
2020-12-14 | Meson: Try finding SLURM libraries via pkg-config first | Thomas White | |
2020-12-14 | Meson: Add GSL to libcrystfel's declare_dependency() | Thomas White | |
2020-12-11 | Skeleton figure of merit window for GUI | Thomas White | |
2020-12-11 | Fix comments | Thomas White | |
2020-12-11 | result -> indexing_result | Thomas White | |
Because shortly we will have merging_result as well | |||
2020-12-07 | Rearrange tabs for merge options | Thomas White | |
This makes the interface consistent between the indexing options and the merging options. | |||
2020-12-07 | Get rid of ImageFeature->rx,ry,rz | Thomas White | |
These needed to be kept up to date with a call to map_all_peaks every time anything changed - wavelength, detector position etc. Not doing so has already led to bugs in another branch, and probably already causes problems on this branch. This patch eliminates the rx,ry,rz completely. Anyone who needs reciprocal space coordinates for a peak is now responsible for calling detgeom_transform_coords themselves. | |||
2020-12-07 | GUI: Save and restore the selected result | Thomas White | |
2020-12-07 | GUI: Select result when loading stream | Thomas White | |
2020-12-04 | GUI: Set number of threads for merging | Thomas White | |
2020-12-04 | CrystFELMergeOpts: Checkbox disable/deactivation logic | Thomas White | |
2020-12-04 | SLURM: Cancel merging jobs properly | Thomas White | |
2020-12-04 | CrystFELMergeOpts: Improve some text entry widths | Thomas White | |
2020-12-04 | GUI: Set wrap mode for "notes" box | Thomas White | |
2020-12-04 | CrystFELMergeOpts: Fix min-res behaviour | Thomas White | |
2020-12-04 | Formatting | Thomas White | |
2020-12-04 | GUI: Set default resolution for merging to INFINITY | Thomas White | |
Its in Angstroms, not nm^-1 | |||
2020-12-03 | SLURM BE: Submit merge job | Thomas White | |
2020-12-02 | Local BE: Run merging | Thomas White | |
2020-12-02 | Send all streams to process_hkl/partialator | Thomas White | |
2020-12-02 | partialator: Work with multiple input streams | Thomas White | |
2020-12-02 | process_hkl: Work with multiple input streams | Thomas White | |
2020-11-30 | Add merging_command_line() | Thomas White | |
2020-11-30 | Pass result to backend for merging | Thomas White | |
2020-11-30 | Local BE: Genericise subprocess functions | Thomas White | |
2020-11-30 | Move get_crystfel_exe and get_crystfel_path_str to crystfel_gui.c | Thomas White | |
2020-11-30 | Avoid crash when image info button is clicked on an empty image view | Thomas White | |
2020-11-20 | Move indexing option tabs to side, and rearrange | Thomas White | |
This seems to give a more compact and logical layout | |||
2020-11-20 | GUI: Add stream output options including metadata to copy | Thomas White | |
2020-11-12 | Add scripts/make-csplit | Thomas White | |
2020-10-30 | Bring common GTK routines into separate file | Thomas White | |
2020-10-30 | Invoke the backend to start merging | Thomas White | |
2020-10-30 | Get the option values in preparation for merging | Thomas White | |
2020-10-30 | CrystFELMergeOpts: implement all getters | Thomas White | |