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Diffstat (limited to 'doc/man/partialator.1')
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diff --git a/doc/man/partialator.1 b/doc/man/partialator.1 index 49220e4f..42582169 100644 --- a/doc/man/partialator.1 +++ b/doc/man/partialator.1 @@ -12,6 +12,110 @@ partialator \- scaling and post-refinement of partial reflections .SH SYNOPSIS .PP .B partialator -[options] +\fB-i\fR \fIinput.stream\fR +\fB-o\fR \fIoutput.hkl\fR +\fB-g\fR \fIdetector.geom\fR +\fB-b\fR \fIbeamline.beam\fR +\fB-y\fR \fIpointgroup\fR +[\fBoptions\fR] \fB...\fR +.PP +.B partialator +\fB--help\fR .SH DESCRIPTION +\fBpartialator\fR merges reflections by scaling and post refinement, accounting +for the partialities of the reflections. That means that it models the geometry +of diffraction for each pattern (crystal orientation, unit cell parameters, +X-ray bandwidth and so on) and attempts to optimise the geometrical parameters +to make the fully integrated intensities calculated using the model agree as +closely as possible between the many patterns. +.PP +This program is \fIexperimental\fR in this version of CrystFEL. It is not yet +considered ready for processing experimental data. + +.SH OPTIONS +.PD 0 +.IP "\fB-i\fR \fIfilename\fR" +.IP \fB--input=\fR\fIfilename\fR +.PD +Give the name of the input stream.. + +.PD 0 +.IP "\fB-o\fR \fIfilename\fR" +.IP \fB--output=\fR\fIfilename\fR +.PD +Give the name of the output file. The default is +\fB--output=partialator.hkl\fR. + +.PD 0 +.IP "\fB-y\fR \fIpointgroup\fR" +.IP \fB--symmetry=\fR\fIpointgroup\fR +.PD +Merge according to symmetry \fIpointgroup\fR. + +.PD 0 +.IP "\fB-g\fR \fIfilename\fR" +.IP \fB--geometry=\fR\fIfilename\fR +.PD +Read the detector geometry description from \fIfilename\fR. See \fBman crystfel_geometry\fR for more information. + +.PD 0 +.IP "\fB-b\fR \fIfilename\fR" +.IP \fB--beam=\fR\fIfilename\fR +.PD +Read the beam description from \fIfilename\fR. See \fBman crystfel_geometry\fR for more information. + +.PD 0 +.IP "\fB-n\fR \fIn\fR" +.IP \fB--iterations=\fR\fIn\fR +.PD +Run \fIn\fR cycles of scaling and post refinement. + +.PD 0 +.IP \fB--no-scale\fR +.PD +Fix all the overall scaling factors to be unity. + +.PD 0 +.IP "\fB-r\fR \fIfilename\fR" +.IP \fB--reference=\fR\fIfilename\fR +.PD +Refine and scale patterns against the reflections in \fIfilename\fR, instead of +comparing them against each other. + +.PD 0 +.IP "\fB-j\fR \fIn\fR" +.PD +Run \fIn\fR analyses in parallel. + + +.SH BUGS +This program is an \fIexperimental\fR in this version of CrystFEL. It is not +yet considered ready for processing experimental data. Your pet kitten may +explode if you attempt to solve a structure using intensities calculated by this +program. + + +.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 AND DISCLAIMER +Copyright © 2012 Thomas White <taw@physics.org> +.P +partialator 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 crystfel (7), +.BR indexamajig (1), +.BR process_hkl (1), +.BR partial_sim (1), +.BR crystfel_geometry (5). |