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2019-07-24indexamajig: Free spectrum if it was generated for this imageThomas White
2019-07-24indexamajig: Set Gaussian spectrum if one is not providedThomas White
2019-07-24compare_cell_parameters_and_orientation(): Fix documentation and variable namesThomas White
2019-07-22ambigator: Use three pre-defined resolution bins if no resolution limits are ↵Thomas White
given
2019-07-19peakFinder9: remove references to image.num_peaks etcThomas White
2019-07-19Increase maximum geometry length from streamThomas White
It's already too small
2019-07-17zmq: Remove reference to image.num_peaksThomas White
See 636eb6116961296791bae35c40fd9438aa946827
2019-07-17Merge branch 'tom/zmq'Thomas White
2019-07-17partialator: Add "offset" model (Ewald sphere offset assuming monochromatic ↵Thomas White
beam)
2019-07-17partialator: Allow refinement of any partiality modelThomas White
2019-07-17Don't repeat scaling when refiningThomas White
This seems to be a major cause of "going off the rails", and the surfaces look reasonable (in fact, better) without it. Plus, if the user says --no-scale, there should be no scaling at all.
2019-07-17partialator: Use Spectrum APIThomas White
2019-07-17Comment out debugThomas White
2019-07-17Really Simple MinimiserThomas White
2019-07-17Fix grid scan boundaries to put plot-pr-contourmap's red dot in the right placeThomas White
2019-07-17Improve column headings in logsThomas White
2019-07-17Don't re-scale when calculating FoM during PRThomas White
2019-07-17Modify residual some moreThomas White
2019-07-17Modify residual to give clearer minimum, particularly as function of profile ↵Thomas White
radius
2019-07-17partialator: WIP on new minimiserThomas White
2019-07-17partialator: Only strong reflections in specgraph, and remove resolution ↵Thomas White
limit for pgraph Rationale for pgraph: the viewer already has a resolution selector.
2019-07-17partial_sim: Use Spectrum APIThomas White
2019-07-17scripts/plot-pr: Allow the use of folder names other than "pr-logs"Thomas White
2019-07-17Weight reflections according to how much they need to be scaled upThomas White
2019-07-17Allow correct_reflection() to correct anything, not just intensitiesThomas White
2019-07-16Add matrix notation docThomas White
2019-07-16hdfsee: Disallow changing image if geometry file was givenThomas White
2019-07-16hdfile_get_string_value(): Detect non-scalar stringThomas White
Handling strings in HDF5 is already a complete pain. Eventually we should handle an array of strings, but it's too hard for now.
2019-07-16hdfile_get_value(): Increase maximum number of dimensions to 64Thomas White
3 might be too low for a hypothetical file format with, say, two wildcard dimensions.
2019-07-16Remove warnings about non-scalar valuesThomas White
Already handled by return codes.
2019-07-16Tidy upThomas White
2019-07-16hdfsee: Get rid of "multi_event"Thomas White
2019-07-16hdfsee: Factorise setting of window titleThomas White
2019-07-16hdfsee: Get rid of "simple"Thomas White
2019-07-16hdfsee: Show HDF5 menu tree event for multi-event filesThomas White
2019-07-16Generalise get_ev_based_value() to handle non-multievent caseThomas White
... and replace hdfile_get_value() with it
2019-07-05load_entire_file(): Ensure string terminationThomas White
2019-07-05FormattingThomas White
2019-07-05Update copyright datesThomas White
2019-07-05geoptimiser: Use geometry from stream, if presentThomas White
Simply omit the -g option to use geometry from stream.
2019-07-05Add write_detector_geometry_3() (write geometry based on template in memory)Thomas White
2019-07-05Read geometry file from start of streamThomas White
2019-07-05Add get_detector_geometry_from_string()Thomas White
2019-06-25partial_sim: Add --template-streamThomas White
2019-06-25partial_sim: Add missing initialisationsThomas White
2019-06-25read_stream_reflections_*: Set symmetric indices for reflectionsThomas White
2019-06-21partialator: Be more verbose about minimisation failuresThomas White
2019-06-21FormattingThomas White
About the comment: yes, it is. temp2 (T) has already been de-logged by this point.
2019-06-21partialator: Add --force-lambdaThomas White
2019-06-21Actually prevent the use of free-flagged reflections in refinementThomas White
Since we are now using residual() in a numerical minimisation, it's important that it uses either only free-flagged reflections, or only non-free-flagged ones.
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