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| author | Thomas White <taw@physics.org> | 2014-04-03 11:45:41 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2014-04-03 12:54:37 +0200 |
| commit | ef7f6088d3b59ed8c346c5d20a8c534e6bf041f8 (patch) | |
| tree | 17b8b715abfe77435ed4280eceb3ece37e393346 /doc/man/check_hkl.1 | |
| parent | 1e7a4f59997dea30d0b7aa720684d82fd0d3c9c0 (diff) | |
check_hkl: Fix the FIXMEs and calculate B factor
Diffstat (limited to 'doc/man/check_hkl.1')
| -rw-r--r-- | doc/man/check_hkl.1 | 21 |
1 files changed, 21 insertions, 0 deletions
diff --git a/doc/man/check_hkl.1 b/doc/man/check_hkl.1 index a0c77566..97787e3b 100644 --- a/doc/man/check_hkl.1 +++ b/doc/man/check_hkl.1 @@ -51,6 +51,27 @@ Fix the upper resolution limit for the resolutions shells, as 1/d in m^-1. .PD Write the statistics in resolution shells to \fIfilename\fR. +.PD 0 +.IP \fB--ltest\fR +.PD +Perform an L-test for twinning. The shell file will contain the values of |L|, N(|L|) and the theoretical values for untwinned and perfectly twinned data. See Padilla and Yeates, Acta Cryst. D59 (2003) p1124. + +.PD 0 +.IP \fB--wilson\fR +.PD +Calculate a Wilson plot. The shell file will contain the values of s^2 and ln(<I>/eE) (and also the shell number and d in Angstroms for your convenience). The B factor will be calculated using data above 3.2 A resolution and displayed on the terminal. + +.PD 0 +.IP \fB--ignore-negs\fR +.PD +Ignore reflections with negative intensities. + +.PD 0 +.IP \fB--zero-negs\fR +.PD +Set to zero the intensities of reflections with negative intensities. + + .SH AUTHOR This page was written by Thomas White. |