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AgeCommit message (Expand)Author
2015-04-28Reject refinement solutions which lead to low numbers of pairingsThomas White
2015-04-28Remove debugThomas White
2015-04-28Show residualsThomas White
2015-04-28Remove old codeThomas White
2015-04-28Remove unnecessary rejection testsThomas White
2015-04-28Add outlier check for paired peaksThomas White
2015-04-28Fix debugThomas White
2015-04-28write_pairs(): More infoThomas White
2015-04-20Tweak pairing procedureThomas White
2015-04-20Tweak rejectionThomas White
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
2015-04-20Should update clen, not coffsetThomas White
2015-04-20Fix gradientsThomas 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
2015-04-20Fix commentThomas White
2015-04-20Refine detector position in prediction refinementThomas White
2015-04-20Add GPARAM_DETX, GPARAM_DETY and GPARAM_CLENThomas White
2015-04-20FussinessThomas White
2015-04-20refine_prediction(): Improve error handlingThomas White
2015-04-20refine_{radius,prediction}: unite common code (pair_peaks), avoid preliminary...Thomas White
2015-04-20Factorise dr/da part of gradient calculation for PR and predictionThomas 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
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
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
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
2015-04-20cell_explorer: Ensure initialisation of active_indms[]Thomas White
2015-04-01FormattingThomas White
2015-04-01geoptimiser: Unpack panel data into image->dp before attempting to save PNGThomas White
2015-04-01cell_explorer: Switch font to Liberation Serif (from "Serif")Thomas White
2015-04-01Initialise indexed_by to INDEXING_NONEThomas White