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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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check_hkl.c
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2017-05-16
check_hkl: Calculate resolution of reflection with asymmetric indices for ↵
Thomas White
both possible and measured reflections Previously, it used whichever indices it found first. This made the resolutions different enough to fall into different bins, and screwed up the completeness (fortunately, rarely).
2016-05-13
{check,compare}_hkl: Add warnings when using potentially silly option choices
Thomas White
2015-01-20
Add informational messages when symmetry doesn't match for monoclinic point ↵
Thomas White
groups
2014-12-16
{check,compare}_hkl: Include min/max bin ranges in shell files
Thomas White
2014-12-09
Capitalise all warnings
Thomas White
2014-09-19
Introduce CrystFEL unit cell files
Thomas White
2014-09-18
Fixed message from check_hkl.c
Takanori Nakane
2014-05-21
Added reporting of version number to all program and stream file
Valerio Mariani
2014-04-08
Remove old code
Thomas White
2014-04-03
check_hkl: Add (and honour) --lowres and --highres
Thomas White
2014-04-03
check_hkl: Be robust against silly intensities when doing --wilson
Thomas White
2014-04-03
check_hkl: Fix the FIXMEs and calculate B factor
Thomas White
2014-03-30
check_hkl: Add L-test
Thomas White
2014-03-30
check_hkl: Add Wilson plot
Thomas White
2013-11-06
check_hkl: Add --shell-file
Thomas White
2013-04-11
Remove hacked-in systematic absence checks
Thomas White
Tom is an idiot
2013-04-11
check_hkl: Fix iteration limits for possible reflection calculation
Thomas White
2013-04-11
check_hkl: Free stuff
Thomas White
2013-03-07
check_hkl: Add --nshells
Thomas White
2013-01-10
Handle '?' return value from getopt_long()
Thomas White
2012-11-30
check_hkl: Take forbidden reflections into account when calculating completeness
Thomas White
2012-10-06
Formatting
Thomas White
2012-10-06
Count silly reflections
Thomas White
2012-10-02
Move unit cell utility stuff to separate module
Thomas White
2012-09-04
Fix widespread bug-hiding problem with command line argument handling
Thomas White
2012-08-08
Fix buglets spotted by new compiler on Fedora 17
Thomas White
2012-07-29
check_hkl: Don't report low completeness just because some sigma values are ↵
Thomas White
silly
2012-07-03
check_hkl: Add Angstrom column as well
Thomas White
2012-05-30
Formatting
Thomas White
2012-03-14
check_hkl: Fix inaccurate calculation of redundancy
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
2012-03-01
More documentation work
Thomas White
2012-02-22
GPLv3 boilerplate comments
Thomas White
2012-02-22
check_hkl: Fix --help
Thomas White
2012-02-22
Simplify compare_hkl and check_hkl, remove second to last use of "list types"
Thomas White
2012-02-22
Add a reminder
Thomas White
2012-02-22
check_hkl: Add sigma cutoff
Thomas White
2012-02-22
Finish fixing compiler warnings
Thomas White
2012-02-22
Fussiness
Thomas White
2012-02-22
Use calculated max wavelength for calculating number of possible reflections
Thomas White
2012-02-22
More debugging
Thomas White
2012-02-22
Remove old reflections.h
Thomas White
2012-02-22
Remove all remaining PDB rendering stuff
Thomas White
2012-02-22
Fix grammar
Thomas White
2012-02-22
Use correct accessor type for ESD lists
Thomas White
2012-02-22
Tighter symmetry check
Thomas White
2012-02-22
Fix stability of SNRs
Thomas White
2012-02-22
check_hkl: Show mean and variance
Thomas White
2012-02-22
check_hkl: Fix completeness
Thomas White
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