Age | Commit message (Collapse) | Author | |
---|---|---|---|
2018-04-24 | xds: Remove messages about "Couldn't open 'IDXREF.LP'" | Thomas White | |
They just mean "couldn't be indexed" | |||
2018-04-20 | Restore peak alignment check and unset multi-lattice indexing as default | Thomas White | |
Unfortunately, they seem to be severely reducing data quality. Partially reverts 60c48f3876b0d3c30bf729ce691dbd3f56665c4c | |||
2018-04-20 | Set default bandwidth very small | Thomas White | |
This seems to have been reducing data quality by overpredicting. | |||
2018-04-20 | Remove TakeTwo from default indexing method probes | Thomas White | |
At least until it can be made faster. | |||
2018-03-29 | Merge branch 'tom/ginn-partials' | Thomas White | |
2018-03-02 | Use old scaling code | Thomas White | |
2018-03-02 | Remove unnecessary pmodels | Thomas White | |
2018-03-02 | Restore old scaling code | 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 | Update manual page | Thomas White | |
2018-02-27 | Add scripts/plot-pr and scripts/plot-contourmap | Thomas White | |
2018-02-27 | Move pgraph.dat to pr-logs folder | 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 | Replace debugging code with an assert() | Thomas White | |
2018-02-27 | partialator: Add -w and --operator options | Thomas White | |
2018-02-27 | Don't write pgraph.dat if --no-logs | Thomas White | |
2018-02-27 | partialator: Tidy up old log files, and add --no-logs | Thomas White | |
2018-02-27 | Update copyright date | Thomas White | |
2018-02-27 | Update comment to clarify interpretation of bandwidth | 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 | Halve the bandwidth | Thomas White | |
2018-02-27 | Take modulus of profile radius | Thomas White | |
A bit nasty, but avoids lots of NANs | |||
2018-02-27 | Set integral range to +/- 3 sigma | Thomas White | |
2018-02-27 | Add units to grid scan axes | Thomas White | |
2018-02-27 | Don't write logs if --no-pr | Thomas White | |
It just takes too long. | |||
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 | Add Ipart values to pgraph | 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 | Create a separate image structure for each image | Thomas White | |
Because the wavelength is going to be refined and shouldn't be shared. In the future, the wavelength should somehow be refined jointly between multi-crystal images. | |||
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 | |