diff options
Diffstat (limited to 'doc/man/check_hkl.1')
| -rw-r--r-- | doc/man/check_hkl.1 | 58 |
1 files changed, 56 insertions, 2 deletions
diff --git a/doc/man/check_hkl.1 b/doc/man/check_hkl.1 index af830509..d01a8ecc 100644 --- a/doc/man/check_hkl.1 +++ b/doc/man/check_hkl.1 @@ -11,7 +11,61 @@ check_hkl \- calculate figures of merit for reflection data .SH SYNOPSIS .PP -.B check_hkl -[options] +\fBcheck_hkl\fR [\fIoptions\fR] \fB...\fR \fIfile.hkl\fR \fB-p\fR \fIcell.pdb\fR .SH DESCRIPTION +check_hkl calculates figures of merit for reflection data, such as completeness and average signal strengths, in resolution shells. check_hkl accepts a single reflection list in CrystFEL's format, and you must also provide a unit cell (in a PDB file). + +.SH OPTIONS +.PD 0 +.IP \fB-p\fR \fIunitcell.pdb\fR +.IP \fB--pdb=\fR\fIunitcell.pdb\fR +.PD +Specify the name of the PDB file containing at least a CRYST1 line describing the unit cell. + +.PD 0 +.IP \fB-y\fR \fpointgroup\fR +.IP \fB--symmetry=\fR\fIpointgroup\fR +.PD +Specify the symmetry of the reflections. + +.PD 0 +.IP \fB--sigma-cutoff=\fR\fIn\fR +.PD +Discard reflections with I/sigma(I) < \fIn\fR. Default: -infinity (no cutoff). + +.PD 0 +.IP \fB-p\fR \fIunitcell.pdb\fR +.IP \fB--pdb=\fR\fIunitcell.pdb\fR +.PD +Specify the name of the PDB file containing at least a CRYST1 line describing the unit cell. + +.PD 0 +.IP \fB--rmin=\fR\fI1/d\fR +.PD +Fix the lower resolution limit for the resolutions shells, as 1/d in m^-1. + +.PD 0 +.IP \fB--rmax=\fR\fI1/d\fR +.PD +Fix the upper resolution limit for the resolutions shells, as 1/d in m^-1. + +.SH AUTHOR +This page was written by Thomas White. + +.SH REPORTING BUGS +Report bugs to <taw@physics.org>, or visit <http://www.desy.de/~twhite/crystfel>. + +.SH COPYRIGHT +Copyright © 2012 Thomas White <taw@physics.org> +.P +check_hkl is part of CrystFEL. +.P +CrystFEL is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version. +.P +CrystFEL is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. +.P +You should have received a copy of the GNU General Public License along with CrystFEL. If not, see <http://www.gnu.org/licenses/>. + +.SH SEE ALSO +.BR compare_hkl (1) |