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authorThomas White <taw@physics.org>2010-11-11 17:51:49 +0100
committerThomas White <taw@physics.org>2012-02-22 15:27:05 +0100
commitabb67df4b77364b20a64b43ee3e427cacd60e22f (patch)
treea5cf96978f427d9d70e1d8cc12dd1eb429c93dc0 /doc/process_hkl.txt
parent74cfb2b2bf47bbdf15b694b62399811ad641e2b1 (diff)
Update docs
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@@ -26,5 +26,21 @@ 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.