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Diffstat (limited to 'doc/man/get_hkl.1')
| -rw-r--r-- | doc/man/get_hkl.1 | 12 |
1 files changed, 9 insertions, 3 deletions
diff --git a/doc/man/get_hkl.1 b/doc/man/get_hkl.1 index 0f310db8..1151f685 100644 --- a/doc/man/get_hkl.1 +++ b/doc/man/get_hkl.1 @@ -18,7 +18,7 @@ get_hkl \- manipulate reflection data .SH DESCRIPTION get_hkl performs various manipulations on reflection lists. Possible manipulations include: expanding to a point group of lower symmetry, 'twinning' to a point group of higher symmetry, adding noise, restricting the list to contain only reflections included in another 'template' list, and some less common miscellaneous manipulations. .PP -The input filename should be specified with \fB-i\fR \fIfilename\fR or \fB--input=\fR\fIfilename\fR. The output filename should be specified with \fB-o\fR \fIfilename\fR or \fB--output=\fR\fIfilename\fR. The symmetry of the input reflection list should be specified with \fB-y\fR \fIpointgroup\fR or \fB--symmetry=\fR\fIpointgroup\fR. If you give the filename of a PDB file containing a CRYST1 line with unit cell parameters (using \fB-p\fR \fIfilename\fR or \fB--pdb=\fR\fIfilename\fR), the output reflection list will contain 1/d values. Beyond these parameters, you can choose one of the manipulations described below. The behaviour if multiple manipulations are requested is deliberately left undefined: it's much clearer to perform multiple manipulations in explicit separate steps. +The input filename should be specified with \fB-i\fR \fIfilename\fR or \fB--input=\fR\fIfilename\fR. The output filename should be specified with \fB-o\fR \fIfilename\fR or \fB--output=\fR\fIfilename\fR. The symmetry of the input reflection list should be specified with \fB-y\fR \fIpointgroup\fR or \fB--symmetry=\fR\fIpointgroup\fR. Beyond these parameters, you can choose one of the manipulations described below. The behaviour if multiple manipulations are requested is deliberately left undefined: it's much clearer to perform multiple manipulations in explicit separate steps. .SH EXPANDING REFLECTIONS INTO A POINT GROUP OF LOWER SYMMETRY .PD 0 @@ -74,7 +74,13 @@ The intensities of the reflections will be multiplied by their symmetric multipl .IP \fB--cutoff-angstroms=\fR\fIn1,n2,n3\fR .PD In the first form, reflections with d (=lamba/2*sin(theta)) < \fIn\fR will be removed. -In the second form, anisotropic truncation will be performed with separate resolution limits \fIn1\fR, \fIn2\fR and \fIn3\fR along a*, b* and c* respectively. +In the second form, anisotropic truncation will be performed with separate resolution limits \fIn1\fR, \fIn2\fR and \fIn3\fR along a*, b* and c* respectively. You must also specify \fB-p\fR or \fB--pdb\fR. + +.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. .SH AUTHOR This page was written by Thomas White. @@ -83,7 +89,7 @@ This page was written by Thomas White. Report bugs to <taw@physics.org>, or visit <http://www.desy.de/~twhite/crystfel>. .SH COPYRIGHT AND DISCLAIMER -Copyright © 2012 Deutsches Elektronen-Synchrotron DESY, a research centre of the Helmholtz Association. +Copyright © 2012-2014 Deutsches Elektronen-Synchrotron DESY, a research centre of the Helmholtz Association. .P get_hkl, and this manual, are part of CrystFEL. .P |