Age | Commit message (Collapse) | Author | |
---|---|---|---|
2019-07-17 | Merge branch 'tom/zmq' | Thomas White | |
2019-07-17 | partialator: Add "offset" model (Ewald sphere offset assuming monochromatic ↵ | Thomas White | |
beam) | |||
2019-07-17 | partialator: Allow refinement of any partiality model | Thomas White | |
2019-07-17 | Don't repeat scaling when refining | Thomas White | |
This seems to be a major cause of "going off the rails", and the surfaces look reasonable (in fact, better) without it. Plus, if the user says --no-scale, there should be no scaling at all. | |||
2019-07-17 | partialator: Use Spectrum API | Thomas White | |
2019-07-17 | Comment out debug | Thomas White | |
2019-07-17 | Really Simple Minimiser | Thomas White | |
2019-07-17 | Fix grid scan boundaries to put plot-pr-contourmap's red dot in the right place | Thomas White | |
2019-07-17 | Improve column headings in logs | Thomas White | |
2019-07-17 | Don't re-scale when calculating FoM during PR | Thomas White | |
2019-07-17 | Modify residual some more | Thomas White | |
2019-07-17 | Modify residual to give clearer minimum, particularly as function of profile ↵ | Thomas White | |
radius | |||
2019-07-17 | partialator: WIP on new minimiser | Thomas White | |
2019-07-17 | partialator: Only strong reflections in specgraph, and remove resolution ↵ | Thomas White | |
limit for pgraph Rationale for pgraph: the viewer already has a resolution selector. | |||
2019-07-17 | partial_sim: Use Spectrum API | Thomas White | |
2019-07-17 | Weight reflections according to how much they need to be scaled up | Thomas White | |
2019-07-17 | Allow correct_reflection() to correct anything, not just intensities | Thomas White | |
2019-07-16 | hdfsee: Disallow changing image if geometry file was given | Thomas White | |
2019-07-16 | Tidy up | Thomas White | |
2019-07-16 | hdfsee: Get rid of "multi_event" | Thomas White | |
2019-07-16 | hdfsee: Factorise setting of window title | Thomas White | |
2019-07-16 | hdfsee: Get rid of "simple" | Thomas White | |
2019-07-16 | hdfsee: Show HDF5 menu tree event for multi-event files | Thomas White | |
2019-07-05 | Formatting | Thomas White | |
2019-07-05 | geoptimiser: Use geometry from stream, if present | Thomas White | |
Simply omit the -g option to use geometry from stream. | |||
2019-06-25 | partial_sim: Add --template-stream | Thomas White | |
2019-06-25 | partial_sim: Add missing initialisations | Thomas White | |
2019-06-21 | partialator: Be more verbose about minimisation failures | Thomas White | |
2019-06-21 | Formatting | Thomas White | |
About the comment: yes, it is. temp2 (T) has already been de-logged by this point. | |||
2019-06-21 | partialator: Add --force-lambda | Thomas White | |
2019-06-21 | Actually prevent the use of free-flagged reflections in refinement | Thomas White | |
Since we are now using residual() in a numerical minimisation, it's important that it uses either only free-flagged reflections, or only non-free-flagged ones. | |||
2019-06-21 | partialator: Progress bar for logs/grid scans | Thomas White | |
2019-06-19 | partialator: With --no-free, still show non-free residuals for crystals with ↵ | Thomas White | |
too few free reflections | |||
2019-06-19 | Add missing newline | Thomas White | |
2019-06-19 | pattern_sim: Fix uninitialised value | Thomas White | |
2019-06-05 | partialator: Parallelise deltaCChalf calculation | Thomas White | |
2019-06-04 | cell_explorer: Avoid more GTK3-isms | Thomas White | |
2019-06-04 | cell_explorer: Remove GTK3-isms | Thomas White | |
2019-05-29 | Normalise sampled spectrum weights to total 1 | Thomas White | |
2019-05-29 | Use Spectrum API for simulation | Thomas White | |
2019-05-14 | Remove image.num_peaks and num_saturated_peaks | Thomas White | |
These values were inconsistently set by different parts of the code, e.g. different peak search methods. num_saturated_peaks was even set during final integration. Now, the peak count is taken from the ImageFeatureList, so it's authoritative. | |||
2019-05-14 | Remove old "statistics" module with R factors etc | Thomas White | |
compare_hkl does all of these, much better than these functions. | |||
2019-05-13 | Fussiness | Thomas White | |
2019-05-13 | gpu_sim_check: Succeed if GPU not available | Thomas White | |
On recent OSes, OpenCL (the API) is always available, but a GPU device not always. Therefore, this test will always be built, and shouldn't fail just because a GPU isn't present. | |||
2019-05-08 | check_hkl: Report overall completeness and redundancy | Thomas White | |
2019-05-08 | check_hkl: Use unsigned long for reflection counts | Thomas White | |
2019-05-08 | Formatting | Thomas White | |
2019-05-08 | Add new xgandalf options | Yaroslav Gevorkov | |
2019-05-07 | Move spectrum type enum to pattern_sim.c | Thomas White | |
2019-04-10 | cell_explorer: Exclude cells when centering type is set to grey | Thomas White | |
This is more useful than just changing the colours. Fixes CRYS-224. |