| Age | Commit message (Collapse) | Author | |
|---|---|---|---|
| 2019-03-01 | partialator: Fix two small memory leaks | Thomas White | |
| 2019-03-01 | partialator: Check for failed minimiser setup in write_grid() | Thomas White | |
| 2019-03-01 | partialator: Fix string overruns in write_grid() | Thomas White | |
| 2019-01-29 | Fix some compiler warnings about string handling | Thomas White | |
| 2019-01-28 | partialator: Display error message if minimiser can't be set up | Thomas White | |
| 2019-01-28 | partialator: Catch failure to set up post-refinement minimiser | Thomas White | |
| 2019-01-28 | partialator: Fix multiple memory leaks | Thomas White | |
| 2018-12-04 | partialator: Fix leaked file handle | Thomas White | |
| 2018-11-30 | Factorise correction of intensity for G, B, p and L | Thomas White | |
| There were no fewer than 8 different places in the code where these factors needed to be applied. They all need to agree on conventions such as whether the intensities in the pattern should be multiplied or divided by G to "correct" them. They were not. This commit reduces the number of places to three: one function (actually two functions, so that the value before partiality can also be calculated consistently), plus log_residual and scale_one_crystal, where slightly different logarithmic versions are used instead. | |||
| 2018-09-07 | s/PRFLAG_CC/PRFLAG_DELTACCHALF/ | Thomas White | |
| 2018-08-30 | Initial delta CC half stuff | Thomas White | |
| 2018-05-07 | Add SCALE_VERBOSE_ERRORS | Thomas White | |
| 2018-05-07 | Move residual() and log_residual() to merge.c | Thomas White | |
| 2018-05-07 | Preparation for adjusting B factor during post-refinement | Thomas 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) | |||
| 2018-05-07 | Remove unused parameter | Thomas White | |
| 2018-03-02 | Don't calculate pobs if reference reflection is weak | Thomas White | |
| 2018-02-27 | Write logs for test program | Thomas White | |
| 2018-02-27 | Add --force-bandwidth and --force-radius | Thomas White | |
| 2018-02-27 | Add current value to grid plots | Thomas White | |
| 2018-02-27 | Trap very large profile radius values | Thomas White | |
| 2018-02-27 | partialator: Add -w and --operator options | Thomas White | |
| 2018-02-27 | partialator: Tidy up old log files, and add --no-logs | Thomas White | |
| 2018-02-27 | Increase resolution of grid scan | Thomas White | |
| Needed to see the minimum in profile radius | |||
| 2018-02-27 | Add indices to spectrum graph | Thomas White | |
| 2018-02-27 | Take modulus of profile radius | Thomas White | |
| A bit nasty, but avoids lots of NANs | |||
| 2018-02-27 | Add units to grid scan axes | Thomas White | |
| 2018-02-27 | Reduce granularity of grid scans | Thomas White | |
| The time taken was excessive. | |||
| 2018-02-27 | Save multiple grid maps | Thomas White | |
| 2018-02-27 | Trap lambda<0 | Thomas White | |
| 2018-02-27 | Write spectra and grid scans after every iteration, and also before the ↵ | Thomas White | |
| first and at end Also, do it in parallel. | |||
| 2018-02-27 | Tidy up and fix | Thomas White | |
| 2018-02-27 | Write spectrum graph at end again | Thomas White | |
| 2018-02-27 | write_gridscan(): Use own minimiser | Thomas White | |
| 2018-02-27 | write_gridscan(): Handle cycle=-1 | Thomas White | |
| 2018-02-27 | Split out setup of minimiser | Thomas White | |
| 2018-02-27 | Split out grid scan | Thomas White | |
| 2018-02-27 | Move specgraph stuff to post-refinement.c | Thomas White | |
| 2018-02-27 | Write logs for every twentieth crystal | Thomas White | |
| 2018-02-27 | See if pattern fits better in other orientation | Thomas White | |
| 2018-02-27 | Add grid search output | Thomas White | |
| 2018-02-27 | Create a new UnitCell when rotating the crystal | Thomas White | |
| 2018-02-27 | Stop if GSL gives us NAN residual | Thomas White | |
| Happens if the initial position is close to a tight minimum, so all simplex vertices have bad values. | |||
| 2018-02-27 | Write log files of numbers per simplex iteration | Thomas White | |
| 2018-02-27 | Reduce verbosity | Thomas White | |
| 2018-02-27 | Mark crystals as bad if they don't scale properly | Thomas White | |
| 2018-02-27 | Adjust angle step size | Thomas White | |
| 2018-02-27 | Weight reflections by partiality in residual | Thomas White | |
| 2018-02-27 | Verbosity adjustments | Thomas White | |
| 2018-02-27 | Restore redundancy check | Thomas White | |
| 2018-02-27 | Use GSL_NAN instead of infinity to indicate failed function evaluation | Thomas White | |
| This is what the GSL manual says should be done. | |||
 |
index : CrystFEL | |
| Data processing for serial crystallography | Thomas White |
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