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CrystFEL
crystfel-0.3
crystfel-0.4
crystfel-0.5
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pascal/electrons
tom/dtempl
Data processing for serial crystallography
Thomas White
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post-refinement.c
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Author
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
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
2018-02-27
Add indices to spectrum graph
Thomas White
2018-02-27
Take modulus of profile radius
Thomas White
2018-02-27
Add units to grid scan axes
Thomas White
2018-02-27
Reduce granularity of grid scans
Thomas White
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 first...
Thomas White
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
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
2018-02-27
Pass serial number and verbosity level down
Thomas White
2018-02-27
Don't complain loudly about scaling failures during refinement
Thomas White
2018-02-27
Switch to simpler scaling algorithm
Thomas White
2018-02-27
Fix scaling factor in residual()
Thomas White
2018-02-27
Scaling fixes
Thomas White
2018-02-27
Residual and scaling fixes
Thomas White
2018-02-27
Find the angles correctly for the 5 degree check
Thomas White
2018-02-27
Store scale factor in linear form
Thomas White
2018-02-27
Use linear scale when scaling against reference
Thomas White
2018-02-27
New residual to match Helen's work
Thomas White
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