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path: root/src/partialator.c
AgeCommit message (Collapse)Author
2018-02-27Tweak reflection inclusion criteriaThomas White
2018-02-27partialator: Write spectrum graphThomas White
2018-02-27New partiality model from Ginn et al.Thomas White
2018-02-27Separate partiality calculation from predictionThomas White
2018-01-19partialator: Improve message about "Not refining unity model"Thomas White
It sounded too much like a warning. Now it's a bit more friendly.
2017-10-23Check return values from fread/fgetsThomas White
2017-03-03partialator: Better handling of very small number of crystalsThomas White
2017-02-01partialator: Exit if point group is unrecognisedThomas White
2016-11-24partialator: Fix counting of imagesThomas White
2016-11-16partialator: Fix segfault when not using --custom-splitThomas White
Crash introduced by 775bbc2d. How silly of me. Thanks to Ken Beyerlein for fixing this.
2016-11-04Add (more) warnings about unique axesThomas White
2016-10-28partialator: Show some useful numbers about csplit datasetsThomas White
2016-10-28partialator: Don't write a dataset if it contains no crystalsThomas White
2016-08-16get_hkl, partialator, process_hkl: Add command line and version infoThomas White
2016-02-08FormattingThomas White
2016-02-05partialator: add --output-every-cycle option to write .hkl* and .params ↵Keitaro Yamashita
files in every cycle
2016-01-06Rearrange columns in partialator.paramsThomas White
2016-01-06Print filename and event string in the partialator.params output fileValerio Mariani
2015-11-19partialator: Set default push-res to infinityThomas White
Not needed now that the scaling is more stable
2015-11-18Move B factor limit to general rejection functionThomas White
2015-11-18partialator: Scale (strictly) using strong reflections onlyThomas White
2015-11-18merge_intensities(): add use_weak optionThomas White
2015-09-25partialator: Rationalise residual calculation and displayThomas White
2015-09-24Reject big B factors before trying PRThomas White
2015-09-07partialator: Clarity about log vs non-log residualsThomas White
2015-08-31partialator: Add --max-rel-BThomas White
2015-08-31Fix commentsThomas White
2015-08-31partialator: Improve hash function (again)Thomas White
2015-08-31partialator: Make defaults agree with docsThomas White
2015-08-31partialator: Improve hash function and diagnosticsThomas White
2015-08-31partialator: Fix handling of multi-event files in --custom-splitThomas White
2015-08-31partialator: Add --custom-splitThomas White
2015-08-01partialator: Rationalise rejection diagnosticsThomas White
2015-08-01partialator: Add --no-free (for testing only)Thomas White
2015-07-23Refuse to refine the unity modelThomas White
2015-07-21Add random partiality modelThomas White
2015-07-21partialator: Tidy up handling of bad crystalsThomas White
2015-07-17partialator: Add --no-prThomas White
2015-07-17Move post refinement multiprocessing stuff to post-refinement.cThomas White
2015-07-07partialator: Increase maximum B factor to 1000 A^2, and normalise B factorsThomas White
2015-07-06FormattingThomas White
2015-07-03partialator: Add --start-after/--stop-after options and write symmetry in ↵Keitaro Yamashita
hkl files.
2015-06-19Remove old code/formattingThomas White
2015-06-16partialator: Fix rejection bugsThomas White
2015-06-16partialator: Improve rejectionThomas White
2015-05-19Exclude bad crystals from pobs/pcalc graphThomas White
2015-05-19partialator: Show initial and final residuals (including free)Thomas White
2015-05-19partialator: Add cross-validation pobs/pcalc graphThomas White
2015-05-19Strip out scaling report stuffThomas White
2015-05-19s/lsq_intensities/merge_intensities/Thomas White
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