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path: root/src/compare_hkl.c
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2013-07-22compare_hkl: Fix typoThomas White
2013-06-30compare_hkl: Tidy up and fix CRDanoThomas White
2013-06-29compare_hkl: For 'CRDano', use known mean of zeroThomas White
2013-06-29Added rms correlation ratio to compare_hkl (CRDano)Lorenzo Galli
2013-06-20compare_hkl: Fix quoted number of rejected reflectionsThomas White
2013-05-03compare_hkl: Tidy up and update docsThomas White
2013-05-02compare_hkl: Calculate CCano only from acentric reflectionsThomas White
2013-05-02compare_hkl: Add CCanoThomas White
2013-02-27compare_hkl: Fix bounds of resolution shellsThomas White
2013-01-10Handle '?' return value from getopt_long()Thomas White
2013-01-10Document compare_hkl --intensity-shellsThomas White
2013-01-04compare_hkl: Add --intensity-shellsThomas White
2012-11-23compare_hkl: Actually use --rmin/rmaxThomas White
Previously, they were just used to filter out reflections outside the resolution range, and the bins would be calculated from the resolution limits of whatever was left. Now, the given values are used exactly for calculating the bins.
2012-10-12Add missing newlinesThomas White
2012-10-05FussinessThomas White
2012-10-05compare_hkl: Fix obvious bugThomas White
2012-10-05compare_hkl: Add --shell-file, update documentationThomas White
2012-10-05compare_hkl: Complete reworkThomas White
2012-10-02Move unit cell utility stuff to separate moduleThomas White
2012-09-04Fix widespread bug-hiding problem with command line argument handlingThomas White
2012-08-08Fix buglets spotted by new compiler on Fedora 17Thomas White
2012-07-03compare_hkl: Use separate denominators when calculating R-factors in shellsThomas White
If there are large changes in intensity between shells, the R-factor should reflect it. The old formulation did not have that property. Weak resolution shells would show up with low R-factors because they contributed very little to the overall R-factor, but the actual correspondence between intensities could still be very poor.
2012-07-03compare_hkl: Improve column headerThomas White
2012-07-03compare_hkl: Show resolution shell centre in Angstroms as wellThomas White
2012-07-02compare_hkl: Add --sigma-cutoff optionThomas White
2012-05-30FormattingThomas White
2012-03-12compare_hkl: Ignore case of --shells argumentThomas White
2012-03-12Update copyright notices to show actual contribution yearsThomas White
2012-03-09Update licence notices in line with recommendations from TTThomas White
2012-03-06Rename old array functions to get them out of the way of API consistencyThomas White
2012-03-01More documentation workThomas White
2012-02-22GPLv3 boilerplate commentsThomas White
2012-02-22compare_hkl: Put correct column heading in shells.datThomas White
2012-02-22compare_hkl: Fix Rsplit calculationThomas White
2012-02-22compare_hkl: Take --shells=<FoM> to plot other FoMs in resolution shellsThomas White
2012-02-22compare_hkl: Record actual number of (common) reflections used for Rsplit in ↵Thomas White
each shell
2012-02-22Use the right scaling factor for RsplitThomas White
2012-02-22Simplify compare_hkl and check_hkl, remove second to last use of "list types"Thomas White
2012-02-22compare_hkl: Calculate Rsplit in shells, and say what it isThomas White
2012-02-22Add a reminderThomas White
2012-02-22Compiles (with warnings)Thomas White
2012-02-22Remove anything which deletes a reflection or optimises a RefListThomas White
2012-02-22FormattingThomas White
2012-02-22Add "-u" (unity scaling) option to compare_hklThomas White
2012-02-22compare_hkl: Don't crash if scale factor can't be foundThomas White
2012-02-22compare_hkl: Fix appalling scaling behaviourThomas White
2012-02-22compare_hkl: Use the correct scaling factor for graph (which shows R1(I))Thomas White
2012-02-22compare_hkl: Make sure ratios go in the fileThomas White
2012-02-22compare_hkl: Write ratios earlierThomas White
2012-02-22More debuggingThomas White
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