aboutsummaryrefslogtreecommitdiff
path: root/doc/process_hkl.txt
diff options
context:
space:
mode:
authorThomas White <taw@physics.org>2011-06-16 17:53:28 +0200
committerThomas White <taw@physics.org>2012-02-22 15:27:28 +0100
commit34b21127ea75e6a714a6c04a09f226180b2eb541 (patch)
treedb5d75b4365cbbda4728f0d512d24abcdd3ece88 /doc/process_hkl.txt
parentaa4d05d94275baa8c87acc6343a23d16f1877b24 (diff)
Move documentation to manpages
Diffstat (limited to 'doc/process_hkl.txt')
-rw-r--r--doc/process_hkl.txt46
1 files changed, 0 insertions, 46 deletions
diff --git a/doc/process_hkl.txt b/doc/process_hkl.txt
deleted file mode 100644
index 3c5e40f9..00000000
--- a/doc/process_hkl.txt
+++ /dev/null
@@ -1,46 +0,0 @@
-process_hkl - data scaling and merging program
-----------------------------------------------
-
-This program takes as input the data stream from "indexamajig". It merges the
-many individual intensities together to form a single list of reflection
-intensities which are useful for crystallography.
-
-Typical usage is of the form:
-
-$ process_hkl -i mypatterns.stream -o mydata.hkl -y mypointgroup
-
-
-How to choose the point group
------------------------------
-
-One of the main features of serial crystallography is that the orientations of
-individual crystals are random. That means that the orientation of each
-crystal must be determined independently, with no information about its
-relationship to the orientation of crystals in other patterns (as would be the
-case for a rotation series of patterns).
-
-Some Laue classes are merohedral. This means that the orientation will have an
-ambiguity, but this time more serious. The two (or more) possible
-orientations could be called "twins", but the mechanism of their formation is
-somewhat different to the conventional use of the term. In these cases, you
-will need to merge according to the point group corresponding holohedral Laue
-class.
-
-You can also tell process_hkl the "apparent" symmetry, which is the symmetry as
-far as whatever produced the stream was concerned. In the case of most indexing
-algorithms, this will be the corresponding holohedral point group (not the
-Laue class nor the holohedral Laue class). If you use the "-a" option to give
-this information, process_hkl will try to resolve the remaining orientational
-ambiguities to get from the apparent symmetry to the true symmetry (given with
-"-y"). Currently, it won't do a very good job of it.
-
-Commit number 5cdcaad6277c on the 13th of October 2010 altered indexamajig such
-that it always finds a right-handed unit cell. That means that no ambiguity due
-to inversion exists in streams produced by versions later than that. For
-streams produced by copies of indexamajig older than that, you DO need to use
-the corresponding holohedral Laue class (not point group) as the apparent
-symmetry (with -a). However, since the ambiguity resolution used by process_hkl
-doesn't really work, this detail is somewhat academic.
-
-The document twin-calculator.pdf contains more detailed information about this
-issue, as well as tables which contain all the required information.