Age | Commit message (Collapse) | Author | |
---|---|---|---|
2015-03-12 | Remove weighting | Thomas White | |
This reverts the previous commit. Obviously, if the sigma(I) value is negative, stuff goes wrong. Need a better weighting scheme here. | |||
2015-03-12 | Restore weighting when determining scale factors | Thomas White | |
2015-03-12 | Fix correction for scaling | Thomas White | |
2015-03-12 | Tweak rejection criteria | Thomas White | |
2015-03-12 | Keep the centre of the B factor distribution at zero | Thomas White | |
2015-03-12 | Show more information about rejected crystals | Thomas White | |
2015-03-12 | Show changes in B factors and rejected crystals | Thomas White | |
2015-03-12 | partialator: Add --start-params | Thomas White | |
2015-03-12 | Increase number of cycles for scaling | Thomas White | |
2015-03-12 | Fix silly bug in B factor | Thomas White | |
2015-03-12 | Use running variance formula and add weighting | Thomas White | |
2015-03-12 | Remove debugging stuff | Thomas White | |
2015-03-12 | partialator: Add B-factor scaling and rejection | Thomas White | |
2014-12-09 | Capitalise all warnings | Thomas White | |
2014-06-05 | partialator: Use reciprocal scale factors instead | Thomas White | |
2014-06-02 | partialator: Remove --reference | Thomas White | |
It's not a good idea, and PR works well enough now that we no longer need this for testing | |||
2014-05-23 | Scale against strong reflections only | Thomas White | |
2014-05-23 | Ensure flags are set to zero even if we aren't scaling | Thomas White | |
2014-05-23 | Remove dump of scale factors | Thomas White | |
2014-05-23 | Further simplify scaling convergence criterion | Thomas White | |
2014-05-23 | Flag crystal as bad if scaling calculation goes wrong | Thomas White | |
2014-05-23 | Remove remnants of old convergence criterion | Thomas White | |
2014-05-23 | Remove redundant old stuff | Thomas White | |
2014-05-23 | Simplify criteria for scaling, merging and PR | Thomas White | |
2014-05-23 | Outlier rejection and new convergence criterion for scaling | Thomas White | |
2014-05-20 | Add Gaussian partiality model | Thomas White | |
2014-03-18 | Whitespace | Thomas White | |
2013-12-05 | Fix use of G | Thomas White | |
2013-12-05 | Remove unused ESDs | Thomas White | |
2013-09-13 | partialator: Use read/write lock | Thomas White | |
2013-07-31 | Tweak rejection criteria | Thomas White | |
2013-07-31 | Require scaling convergence to 5%, not 1% | Thomas White | |
2013-07-31 | partialator: New convergence criterion for scaling | Thomas White | |
Instead of stopping iteration when the absolute value of any scaling factor changes by more than a certain (small) amount, calculate the ratios of the scaling factors to their previous values, and stop when no scaling factor changes by more than 1% compared to the mean ratio. This method is robust against "drifting" of the scale factors when the partiality estimates are poor. | |||
2013-07-25 | partialator: Simplify scaling | Thomas White | |
2013-04-30 | partialator: Add --min-measurements | Thomas White | |
2013-04-30 | Remove unused line | Thomas White | |
2013-04-30 | Fix partialator_merge_check_1 | Thomas White | |
2013-04-17 | Spot bad partiality models (and shut the compiler up) | Thomas White | |
2013-04-17 | s/osf/G/ | Thomas White | |
2013-04-17 | Typo | Thomas White | |
2013-04-17 | partialator: Add --model= | Thomas White | |
2013-04-17 | Use Lorentz factors when merging reflections | Thomas White | |
2013-02-06 | Stuff for partialator | Thomas White | |
2012-12-05 | Add a FIXME | Thomas White | |
2012-10-02 | Remove unnecessary includes | Thomas White | |
2012-03-12 | Update copyright notices to show actual contribution years | Thomas White | |
2012-03-09 | Update licence notices in line with recommendations from TT | Thomas White | |
2012-03-06 | Rename old array functions to get them out of the way of API consistency | Thomas White | |
2012-02-22 | GPLv3 boilerplate comments | Thomas White | |
2012-02-22 | partialator: Reduce verbosity a bit | Thomas White | |