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authorThomas White <taw@physics.org>2015-01-09 17:30:35 +0100
committerThomas White <taw@physics.org>2015-01-09 17:30:35 +0100
commit15931c364e2ee96bcd545b33ef5bc0db9e52341f (patch)
treec2709891b3760ae5f8fafc11f11d69ec65093131 /doc/man
parent719ec03ff03e7cbb74eebe46aea9765b1021b9f7 (diff)
Update get_hkl(1)
Diffstat (limited to 'doc/man')
-rw-r--r--doc/man/get_hkl.115
1 files changed, 10 insertions, 5 deletions
diff --git a/doc/man/get_hkl.1 b/doc/man/get_hkl.1
index 94c73579..24f1f8b6 100644
--- a/doc/man/get_hkl.1
+++ b/doc/man/get_hkl.1
@@ -20,6 +20,13 @@ get_hkl performs various manipulations on reflection lists. Possible manipulati
.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. 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.
+.PD 0
+.IP "\fB-p\fR \fIunitcell.cell\fR"
+.IP "\fB-p\fR \fIunitcell.pdb\fR"
+.IP \fB--pdb=\fR\fIunitcell.pdb\fR
+.PD
+Specify the name of the file containing unit cell information, in PDB or CrystFEL format.
+
.SH EXPANDING REFLECTIONS INTO A POINT GROUP OF LOWER SYMMETRY
.PD 0
.IP "\fB-e\fR \fIpointgroup\fR"
@@ -48,7 +55,6 @@ Add either 10% flat random noise (with \fB--noise\fR) or generate Poisson noise
.PD
See \fB--poisson\fR.
-
.SH REMOVING DUPLICATED REFLECTIONS
.PD 0
.IP \fB--trim-centrics\fR
@@ -76,12 +82,11 @@ The intensities of the reflections will be multiplied by their symmetric multipl
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. You must also specify \fB-p\fR or \fB--pdb\fR.
+.SH REINDEXING REFLECTIONS
.PD 0
-.IP "\fB-p\fR \fIunitcell.cell\fR"
-.IP "\fB-p\fR \fIunitcell.pdb\fR"
-.IP \fB--pdb=\fR\fIunitcell.pdb\fR
+.IP \fB--reindex=\fIop\fR
.PD
-Specify the name of the file containing unit cell information, in PDB or CrystFEL format.
+Reindex the reflections according to \fIop\fR. Example: \fB--reindex=k,h,-l\fR.
.SH AUTHOR
This page was written by Thomas White.