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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
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
Fixed CRYS-92 (segfault on saving error maps)
2015-04-01cell_explorer: Switch font to Liberation Serif (from "Serif")Thomas White
This makes the Greek letters come up at SLAC.
2015-04-01Initialise indexed_by to INDEXING_NONEThomas White
Not entirely sure how this was missed for so long.
2015-03-20hdfsee: Fix a typoThomas White
2015-03-19hdf5_read(): Create simple geometryThomas White
This allows unpack_panels() to be called, and hence the same data structures to be available in the simple and geometry cases. Some changes were necessary to hdfsee, which previously created the simple geometery itself
2015-03-18hdfsee: Use per-panel data and recognise bad regions properlyThomas White
2015-03-13Move solve_svd() to utilsThomas White
2015-03-12Remove weightingThomas White
This reverts the previous commit. Obviously, if the sigma(I) value is negative, stuff goes wrong. Need a better weighting scheme here.
2015-03-12Restore weighting when determining scale factorsThomas White
2015-03-12Fix correction for scalingThomas White
2015-03-12Tweak rejection criteriaThomas White
2015-03-12Keep the centre of the B factor distribution at zeroThomas White
2015-03-12Show more information about rejected crystalsThomas White
2015-03-12Show changes in B factors and rejected crystalsThomas White
2015-03-12partialator: Add --start-paramsThomas White
2015-03-12partialator: Disable early rejection (for now)Thomas White
2015-03-12Fussiness (extreme)Thomas White
2015-03-12Increase number of cycles for scalingThomas White
2015-03-12Fix silly bug in B factorThomas White
2015-03-12Use running variance formula and add weightingThomas White
2015-03-12Remove debugging stuffThomas White
2015-03-12Improve rejectionThomas White
2015-03-12partialator: Add B-factor scaling and rejectionThomas White
2015-03-12compare_hkl: Use B-factor scalingThomas White
2015-03-04hdfsee: Support peak lists with only fs,ss coordinatesThomas White
2015-03-02process_hkl: Improve errors a bitThomas White
2015-02-23hdfsee: Fix text in "Go to event" boxThomas White
2015-02-23Added option to jump to random eventValerio Mariani
2015-02-23geoptimiser: Fix option stringThomas White
2015-02-23geoptimiser: Fix colour scale of error mapsThomas White
2015-02-23geoptimiser: look at the right crystalThomas White
2015-02-23-e option for hdfsee overrides data layout description from geometry fileValerio Mariani
2015-02-21Remove unused variableThomas White
2015-02-21Fix the bug in geoptimiser which prevented the optimization of quadrants as ↵Valerio Mariani
connected panels
2015-02-20Sets saving of maps as default for geoptimiserValerio Mariani
2015-02-20indexamajig: Show event ID if there are implausible reflectionsThomas White
2015-02-20indexamajig: Intelligently set default peak pathThomas White
2015-02-20indexamajig: Take a copy of the geometry structureThomas White
There are already things which alter this structure during processing, and probably more to come. Taking a copy avoids problems down the line and fixes a serious bug when using coffset and a fixed clen.
2015-02-19get_detector_geometry(): allow beam==NULLThomas White