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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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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
2018-02-27
Record residuals before and after refinement
Thomas White
2018-02-27
Don't allow profile radius to go negative
Thomas White
2018-02-27
Tweak reflection inclusion criteria
Thomas White
2018-02-27
Horrible restraint to keep algorithm from drifting too far
Thomas White
2018-02-27
Refine wavelength and make algorithm independent of scale
Thomas White
2018-02-27
Factorise applying new parameters to crystal, and prepare for refining radius
Thomas White
2018-02-27
Clean up angles
Thomas White
2018-02-27
Apply the final shifts
Thomas White
2018-02-27
Minimisation fixes
Thomas White
2018-02-27
Minimisation debug stuff
Thomas White
2018-02-27
Remove old code (and formatting)
Thomas White
2018-02-27
Use new reflection list in residual calculation
Thomas White
2018-02-27
New no-gradients minimiser for post-refinement
Thomas White
2018-02-27
New partiality model from Ginn et al.
Thomas White
2018-02-27
Separate partiality calculation from prediction
Thomas White
2015-11-18
partialator: Scale (strictly) using strong reflections only
Thomas White
2015-11-06
Remove unused definition
Thomas White
2015-09-29
Tidy up verbosity of residuals
Thomas White
2015-09-29
Make prototypes of residual() and log_residual() agree
Thomas White
2015-09-25
partialator: Rationalise residual calculation and display
Thomas White
2015-09-24
Reject big B factors before trying PR
Thomas White
2015-09-09
partialator: Ensure initialisation of residuals
Thomas White
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