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AgeCommit message (Collapse)Author
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
2015-05-19Strip out old scaling codeThomas White
2015-05-19FormattingThomas White
2015-05-19partialator: Add --push-resThomas White
2015-05-19Remove status code for "lost too many reflections"Thomas White
This can't happen any more
2015-05-19More debugging / logarithm stuffThomas White
2015-05-19partialator: Output split merged reflection listsThomas White
2015-05-19partialator: Honour --no-scaleThomas White
2015-05-13partialator: Move scaling calculation into PR properThomas White
2015-05-06partialator: Always honour --min-measurementsThomas White
2015-04-20Make panel assignments invariant during prediction- and post-refinementThomas White
Reflections appearing and disappearing are problematic when trying to do a least-squares refinement. Therefore, assume that reflections stay on panel and keep them under consideration even if their partialities go to zero (i.e. they drift off Bragg). This should stabilise both refinements, and simplifies quite a lot of code. Collateral "damage": the old "select_intersection()" is now gone.
2015-03-12partialator: Add --start-paramsThomas White
2015-03-12partialator: Disable early rejection (for now)Thomas White
2015-03-12Improve rejectionThomas White
2015-03-12partialator: Add B-factor scaling and rejectionThomas White
2014-12-09partialator: Add --max-aduThomas White
2014-09-25Remove "sphere", "thin" and "gaussian" partiality models, add "scgaussian"Thomas White
2014-08-11Add scsphere partiality modelThomas White
2014-06-27Add Thin Ewald Sphere modelThomas White
2014-06-26Rationalise counting of filtered eigenvaluesThomas White
2014-06-02partialator: Remove --referenceThomas White
It's not a good idea, and PR works well enough now that we no longer need this for testing
2014-05-23Remove redundant old stuffThomas White
2014-05-23Simplify criteria for scaling, merging and PRThomas White
2014-05-22partialator: Load data more quicklyThomas White
2014-05-21Added reporting of version number to all program and stream fileValerio Mariani
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