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2018-05-11Add --no-logs to partialator testsThomas White
2018-05-11Much better way of stripping the audit information out of hkl filesThomas White
2018-05-11Disable initial scaling if requestedThomas White
2018-05-11Fix memory leaksThomas White
2018-05-11New scaling testThomas White
Not just for linear scaling
2018-05-07linear_scale_check: Set redundancies for reflection listThomas White
2018-05-07Remove unnecessary scaling loopThomas White
2018-05-07Add more reflection checks before scalingThomas White
2018-05-07Add SCALE_VERBOSE_ERRORSThomas White
2018-05-07Implement scale_one_crystal(.., SCALE_NO_B)Thomas White
2018-05-07Pass scaling flags downThomas White
2018-05-07Simplify scalingThomas White
2018-05-07Move residual() and log_residual() to merge.cThomas White
2018-05-07Preparation for adjusting B factor during post-refinementThomas White
Add --no-Bscale option to partialator, and pass down as far as needed residual() no longer does scaling: call scale_one_crystal() first if necessary scale_one() replaces old linear_scale() function to scale a pair of RefLists (but so far does the same as the old function)
2018-05-07Remove unused parameterThomas White
2018-05-07Workaround for Mosflm detector description handling in 7.2.2Thomas White
2018-05-04Merge branch 'taketwo'Thomas White
2018-05-04Expand warning about --push-res without rescutThomas White
2018-05-04Put list of indexing methods into stream headerThomas White
Needed for when the methods are auto-determined.
2018-05-04geoptimiser: Add options for AGIPDOleksandr Yefanov
2018-05-04Formatting fussinessThomas White
2018-05-04geoptimiser: Add --no-rotation and --stretch-mapOleksandr Yefanov
2018-05-04geoptimiser: Add --max-num-peaks-per-pixelOleksandr Yefanov
2018-05-02Revert 1/corr weighting during mergeThomas White
This restores the scaling behaviour (and performance) of version 0.6.3
2018-05-02Remove scale_all_to_referenceThomas White
2018-05-02Comment out message about disabled functionThomas White
2018-05-02Track solution network membership and scores for diagnosticsHelen Ginn
2018-05-02Correctly return the best matrix, not the last oneHelen Ginn
2018-05-02Limit distances of seeds only if cell seed count is quite highHelen Ginn
2018-05-02Plug leaks.Helen Ginn
2018-05-02Plug leaksHelen Ginn
2018-05-02Generate theoretical vectors only once instead of every time the indexing is runHelen Ginn
2018-05-02white spaceHelen Ginn
2018-05-02Fussiness.Helen Ginn
2018-05-02Deal with membership number higher up, and add a minimum threshold (of 5)Helen Ginn
2018-05-02Mass movement of functions to higher upHelen Ginn
2018-05-02Remove commented codeHelen Ginn
2018-05-02Fussiness.Helen Ginn
2018-05-02Remove unnecessary checks which have been superseded by in_networkHelen Ginn
2018-05-02Change angle step sizeHelen Ginn
2018-05-02Various comments throughout codeHelen Ginn
2018-05-02Now we refine an indexing solution to match all the observed vectors to the ↵Helen Ginn
nearest calculated vector before returning solution
2018-05-02Give up if seed count already highHelen Ginn
2018-05-02Fix a for loopHelen Ginn
2018-05-02Change score for seedHelen Ginn
2018-05-02decompose rotation matrix into angle and axisHelen Ginn
2018-05-02rvec add rvec functionHelen Ginn
2018-05-02Taketwo private structure takes care of duplicate solutionsHelen Ginn
2018-05-02Fix typoHelen Ginn
2018-05-02Different limitations for making new seedsHelen Ginn
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