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2014-11-27Fix pre-merging Poisson error calculation for low photon countsThomas White
2014-11-26FormattingThomas White
2014-11-26Do not predict reflections beyond the resolution limit in the first placeThomas White
This is significantly faster than predicting to the edge then applying the resolution cutoff. With the "new" way of estimating the resolution limit, there's no need to integrate first.
2014-11-26Fix conversion to Angstroms for diffraction_resolution_limit in stream (whoops!)Thomas White
2014-11-26Show panel name and correct coordinates in int-diagThomas White
2014-11-26Add find_intersections_to_res()Thomas White
2014-11-26Read unique axis from unit cell (.cell) filesThomas White
... and fix the MOSFLM logic again.
2014-11-26Fix for problems with dataspace creation in write_locationValerio Mariani
2014-11-25FormattingThomas White
2014-11-25Update mosflm logic for axis permutation warning, now that unit cell ↵Thomas White
parameters aren't compulsory
2014-11-25Add warning if the number of peaks is hugeThomas White
2014-11-25Tidy up after removing compressionThomas White
2014-11-24Fixed stream I/O across different versionsValerio Mariani
2014-11-21Moved fs ss rerrangement to get_detector_geometryValerio Mariani
2014-11-21Formatting, and fix a commentThomas White
2014-11-21Disable compression when writing HDF5 filesThomas White
Compression halves the processing speed when simulating realistic patterns (with background etc)
2014-11-21Fix indexing flags check for mosflmThomas White
2014-11-18pattern_sim: State where the intensities came fromThomas White
2014-11-18pattern_sim: Save photon energy at specified locationThomas White
2014-11-17Break hdf5_write_image() down a bitThomas White
2014-11-17pattern_sim: Background is in photons, not ADUThomas White
2014-11-17FormattingThomas White
2014-11-17pattern_sim: Add saturationThomas White
2014-11-17hdf5_read2() should not call hdfile_close()Thomas White
2014-11-17FormattingThomas White
2014-11-17Tolerate having no wavelengthThomas White
2014-11-14Avoid strdup(NULL)Thomas White
2014-11-14Ensure initialisation of as,bs,csThomas White
This is mostly just to shut the compiler up about the lack of initialisation.
2014-11-14Allow free_dim_structure(NULL)Thomas White
2014-11-14pattern_sim: Better error trappingThomas White
2014-11-14Revert update of old deprecated reflection list formatThomas White
Since nothing writes in this modified format (including fs, ss and pn), it makes no sense to be able to read it. This commit reverts a small part of c194bf77.
2014-11-14pattern_sim, partial_sim: List all simulation parameters at startThomas White
2014-11-14Keep everything in SI base units internallyThomas White
2014-11-14Allow geometry files to not contain photon_energyThomas White
2014-11-14Background need not be an integerThomas White
2014-11-13Remove unused variablesThomas White
2014-11-13render_hkl: Add --no-axesThomas White
2014-11-13WhitespaceThomas White
2014-11-13Fix stream readerTakanori Nakane
2014-11-13Fixed parsing of CRYST1Takanori Nakane
2014-11-10Update .gitignoreThomas White
2014-11-10FussinessThomas White
2014-11-10Copy and Replace when saving geometryValerio Mariani
2014-11-10Update docsThomas White
2014-11-09Record number of implausibly negative reflections in streamThomas White
2014-11-09Remove vestigial linesThomas White
2014-11-09Add warnings to everything which used to take a beam fileThomas White
2014-11-09Fix bracketsThomas White
2014-11-09Remove old beam-parameters.cThomas White
2014-11-02Report filename on terminal if it has implausibly negative reflectionsThomas White
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