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CrystFEL
crystfel-0.3
crystfel-0.4
crystfel-0.5
master
pascal/electrons
tom/dtempl
Data processing for serial crystallography
Thomas White
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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
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
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
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
Add Ipart values to pgraph
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
Create a separate image structure for each image
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
Use "iteration F" in logs
Thomas White
2018-02-27
Combine pgraph and specgraph into one file for all iterations
Thomas White
2018-02-27
Adjust angle step size
Thomas White
2018-02-27
Add some extra messages
Thomas White
2018-02-27
Tidy up
Thomas White
2018-02-27
Reduce the weight on reflections if they have to be scaled up
Thomas White
2018-02-27
partialator: Stop if reference reflection list can't be loaded
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
New rejection criteria
Thomas White
2018-02-27
Don't complain loudly about scaling failures during refinement
Thomas White
2018-02-27
Add an assertion
Thomas White
2018-02-27
Show the list of reflections if scaling gives NAN (only if the list is short)
Thomas White
2018-02-27
More reflection criteria
Thomas White
2018-02-27
Iterate over the subject list, not the reference
Thomas White
2018-02-27
More information about dropped reflections in scaling
Thomas White
2018-02-27
Switch to simpler scaling algorithm
Thomas White
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