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2015-04-20Add a simple rejection criterion to the prediction refinementThomas White
2015-04-20New pairing procedure for prediction refinement (and auto-R)Thomas White
2015-04-20Fix L gradients (and tidy up unnecessary variables)Thomas White
2015-04-20Improve and fix scripts/detector-shiftThomas White
Because of a bug in the regexp, it did not apply the shifts to all panels.
2015-04-20Should update clen, not coffsetThomas White
2015-04-20Avoid testing gradients which don't make senseThomas White
2015-04-20Fix gradientsThomas White
2015-04-20plot-detector-shift: More improvementsThomas White
2015-04-20scripts/plot-detector-shift: Fix aspect ratio, general improvementsThomas White
2015-04-20scripts/plot-detector-shift: Remove silly vertical lineThomas White
2015-04-20Increase precision of det_shift and clen_shiftThomas White
2015-04-20indexamajig: Reset indexing method if all crystals fail integrationThomas White
2015-04-20indexamajig: Add --no-refineThomas White
2015-04-20Disable paired peak output for nowThomas White
2015-04-20Output paired peaks for testingThomas White
2015-04-20Revert to stingy spot selection for prediction refinementThomas White
2015-04-20More generous inclusion of reflections for prediction refinement / auto RThomas White
2015-04-20Add new scripts for detector shiftsThomas White
2015-04-20Fix commentThomas White
2015-04-20Refine detector position in prediction refinementThomas White
2015-04-20Add GPARAM_DETX, GPARAM_DETY and GPARAM_CLENThomas White
2015-04-20Improve error messageThomas White
2015-04-20FussinessThomas White
2015-04-20refine_prediction(): Improve error handlingThomas White
2015-04-20refine_{radius,prediction}: unite common code (pair_peaks), avoid ↵Thomas White
preliminary integration round
2015-04-20FussinessThomas White
2015-04-20Factorise dr/da part of gradient calculation for PR and predictionThomas White
2015-04-20Update .gitignoreThomas White
2015-04-20Add plot-predict-refine and plot-radius-resolutionThomas White
2015-04-20Remove debugging statementsThomas White
2015-04-20Record profile radius before and after refinementThomas White
2015-04-20Throw out crystals which could not be refinedThomas White
2015-04-20Tweak debugThomas White
Can't use STATUS here if STATUS is also used inside residual() - this leads to a nice deadlock.
2015-04-20Remove debugThomas White
2015-04-20Tweak weightings and cutoffsThomas White
2015-04-20Split x and y terms in residualThomas 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.
2015-04-20WIP on refinement gutsThomas White
2015-04-20Add gradient test program and fix gradientsThomas White
2015-04-20Add prediction refinementThomas White
2015-04-20pattern_sim: Normalise spectrum to avoid intensity decreasing with number of ↵Thomas White
samples
2015-04-20Update AUTHORSThomas White
2015-04-20open_stream_for_read: read stream from stdin when filename is "-".Keitaro Yamashita
2015-04-20Add INDEXING_DEBUGThomas White
2015-04-20partial_sim: Initialise stuffThomas White
2015-04-20partial_sim: Complain if geometry contains HDF5 referencesThomas White
2015-04-20partial_sim: Update --help and manualThomas White
2015-04-20Fix a string overflow vulnerability, and banish extract_f_from_stuff()Thomas White
2015-04-20Crystal: initialise user flagThomas White
2015-04-20scripts/indexed-filenames: Keep track of event IDs as well, if necessaryThomas White