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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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post-refinement.h
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Author
2021-07-23
partialator: Add --log-folder
Thomas White
2021-03-05
Mass update of copyright dates in source code comments
Thomas White
2020-01-10
Mass update of copyright dates
Thomas White
2019-07-17
partialator: Allow refinement of any partiality model
Thomas White
2019-07-17
partialator: WIP on new minimiser
Thomas White
2018-09-07
s/PRFLAG_CC/PRFLAG_DELTACCHALF/
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
2018-02-27
Write logs for test program
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
Write spectrum graph at end again
Thomas White
2018-02-27
Write log files of numbers per simplex iteration
Thomas White
2018-02-27
Mark crystals as bad if they don't scale properly
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
2015-11-18
partialator: Scale (strictly) using strong reflections only
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
2015-09-07
partialator: Clarity about log vs non-log residuals
Thomas White
2015-08-01
partialator: Rationalise rejection diagnostics
Thomas White
2015-07-21
partialator: Tidy up handling of bad crystals
Thomas White
2015-07-17
partialator: Add --no-pr
Thomas White
2015-07-17
Move post refinement multiprocessing stuff to post-refinement.c
Thomas White
2015-05-19
partialator: Show initial and final residuals (including free)
Thomas White
2015-05-13
partialator: Move scaling calculation into PR proper
Thomas White
2015-04-20
Factorise dr/da part of gradient calculation for PR and prediction
Thomas White
2014-09-30
Cell vector gradients for SCSphere, plus general rationalisation
Thomas White
2014-09-25
Remove "sphere", "thin" and "gaussian" partiality models, add "scgaussian"
Thomas White
2014-06-26
Rationalise counting of filtered eigenvalues
Thomas White
2014-05-23
Refine radius
Thomas White
2014-02-27
Fix compilation when one or more of Cairo, Pango or PangoCairo are missing
Thomas White
2013-09-13
Debugging/verbosity tweaks
Thomas White
2013-09-13
partialator: Debugging stuff
Thomas White
2013-08-01
Count filtered eigenvalues
Thomas White
2013-08-01
Add test for gradient of Lorentz factor (as well as partiality)
Thomas White
2013-07-31
Refine divergence as well
Thomas White
2013-07-31
Revert refinement step if too many reflections are lost
Thomas White
2013-07-25
partialator: Account for Lorentz factor
Thomas White
2013-04-17
Add the possibility to have different partiality models
Thomas White
2013-02-06
Stuff
Thomas White
2013-02-06
Stuff for partialator
Thomas White
2013-02-05
WIP on updating partialator
Thomas White
2012-03-12
Update copyright notices to show actual contribution years
Thomas White
2012-03-09
Update licence notices in line with recommendations from TT
Thomas White
2012-02-22
GPLv3 boilerplate comments
Thomas White
2012-02-22
Fix the choice of "guiding" reflections for PR
Thomas White
2012-02-22
Test everything
Thomas White
2012-02-22
Evil nasty testing
Thomas White
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