Age | Commit message (Collapse) | Author | |
---|---|---|---|
2018-12-18 | make_pixelmap: Use <input>.h5 as default output filename | Thomas White | |
2018-12-18 | check_hkl: Catch NaN L-value due to two zeroed negative intensities | Thomas White | |
2018-12-06 | make_pixelmap: Fix #include | Thomas White | |
2018-12-06 | Add make_pixelmap to core CrystFEL | Thomas White | |
2018-12-04 | partialator: Fix leaked file handle | Thomas White | |
2018-12-03 | indexamajig: Add --wait-for-file | Thomas White | |
2018-11-30 | Factorise correction of intensity for G, B, p and L | Thomas White | |
There were no fewer than 8 different places in the code where these factors needed to be applied. They all need to agree on conventions such as whether the intensities in the pattern should be multiplied or divided by G to "correct" them. They were not. This commit reduces the number of places to three: one function (actually two functions, so that the value before partiality can also be calculated consistently), plus log_residual and scale_one_crystal, where slightly different logarithmic versions are used instead. | |||
2018-11-22 | Don't weight reflections by partiality in residual | Thomas White | |
Because we want under-prediction to be penalised just as much as over-prediction | |||
2018-11-22 | Count crystals with no reflections in various FoMs | Thomas White | |
This is the most common cause of NaN residuals, so it seems better to report that there weren't enough reflections than to report a NaN. | |||
2018-11-22 | log_residual: Actually set n_used | Thomas White | |
2018-11-22 | Restore reflection weighting | Thomas White | |
2018-11-22 | Typecast the data from xxd | Thomas White | |
2018-11-22 | Don't do deltaCChalf with reference data set | Thomas White | |
2018-11-16 | partialator: Handle partial reflections properly in deltaCChalf | Thomas White | |
2018-11-16 | Require deltaCChalf to actually be negative before rejecting | Thomas White | |
2018-11-15 | indexamajig: Name and shame slow processing stages | Thomas White | |
2018-11-14 | Remove unused variables | Thomas White | |
2018-11-14 | Merge branch 'tom/logmerge' | Thomas White | |
2018-11-09 | Fix prototype for calculate_refl_mean_var | Thomas White | |
2018-11-09 | geoptimiser: Fix ifdefs | Thomas White | |
2018-11-09 | Time account fussiness | Thomas White | |
2018-11-09 | Remove ununused variable | Thomas White | |
2018-11-06 | Exclude flagged crystals from deltaCChalf calculation | Thomas White | |
2018-11-06 | Separate variable for excluded reflection | Thomas White | |
It was actually fine, becuase "refl" isn't used again until it's re-set at the start of the next loop iteration. However, it was confusing. | |||
2018-11-02 | Remove some residual debugging stuff | Thomas White | |
2018-11-02 | partialator: Speed up deltaCChalf calculation | Thomas White | |
I'd been lazy with the first implementation, and it's turned out to be too slow. Instead of calculating the entire CChalf each time removing a different crystal, this makes it store some intermediate values so that a crystal can easily be subtracted afterwards. | |||
2018-11-02 | Fix some warnings from static analyser | Thomas White | |
2018-10-30 | compare_hkl: Check for Bijvoet partners only once all other rejection tests ↵ | Thomas White | |
have passed | |||
2018-10-18 | indexamajig: Fix --spectrum-file option | Thomas White | |
2018-10-08 | geoptimiser: Fix incorrect calculation of displacement error | Oleksandr Yefanov | |
Fixed issue with incorrect calculation of the "displacement error" for some panels. Also fixed wrong "displacement error" in case of very small amount of patterns. | |||
2018-09-27 | Write in stream whether crystal was selected as a "hit" or not | Thomas White | |
2018-09-20 | geoptimiser: add a missing check | Oleksandr Yefanov | |
Fixes occasional silly values for one panel | |||
2018-09-11 | hdfsee: Fix a missing return value | Thomas White | |
2018-09-10 | Merge branch 'tom/deltacchalf' | Thomas White | |
2018-09-10 | Add % for overall CChalf | Thomas White | |
2018-09-10 | Make sure reflection contribution list gets freed | Thomas White | |
2018-09-10 | Fussiness / formatting | Thomas White | |
2018-09-10 | indexamajig: read pink beam spectrum from file | Alexandra Tolstikova | |
2018-09-10 | Change image.spectrum to image.spectrum0 to use a different structure for ↵ | Alexandra Tolstikova | |
spectrum. | |||
2018-09-10 | pattern_sim: read spectrum from file | Alexandra Tolstikova | |
2018-09-10 | Apply scaling corrections when calculating deltaCChalf, and add progress bar | Thomas White | |
2018-09-07 | Add the actual deltaCChalf rejection | Thomas White | |
Initially set at mean deltaCChalf minus 2 sigma | |||
2018-09-07 | partialator: Add option to disable deltaCChalf | Thomas White | |
2018-09-07 | s/PRFLAG_CC/PRFLAG_DELTACCHALF/ | Thomas White | |
2018-09-06 | Don't forget to multiple the deltaCChalf values by 100 | Thomas White | |
2018-09-06 | Working and validated deltaCChalf calculation | Thomas White | |
2018-09-05 | Fix calculation and remove debugging stuff | Thomas White | |
2018-09-04 | Debugging stuff | Thomas White | |
2018-09-02 | DeltaCChalf all on one line | Thomas White | |
2018-09-02 | New variance formula | Thomas White | |