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2015-05-06Remove unused revert_crystal()Thomas White
2015-05-06partialator: Make the gradients indirect, for runtime choice of parameters ↵Thomas White
to refine
2015-05-06partialator: Always honour --min-measurementsThomas White
2015-04-30Hdfsee now quits if event option is used without a geometry fileValerio mariani
2015-04-28Disable debugThomas White
2015-04-28Remove camera length refinementThomas White
...because it very often seems to cause problems.
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 ↵Thomas White
preliminary integration round
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
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
2015-04-20partial_sim: Initialise stuffThomas White
2015-04-20partial_sim: Complain if geometry contains HDF5 referencesThomas White
2015-04-20partial_sim: Update --help and manualThomas White