Reindexing: Difference between revisions

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Reindexing (view source)

Revision as of 18:40, 21 October 2012

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remove text referring to versions of XDS before June 2008

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Bureaucrats

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-For some background, see [http://www.ccp4.ac.uk/dist/html/reindexing.html reindexing]
+Use of the REIDX= keyword has been almost completely unnecessary by the "automatic space group determination" performed in the CORRECT step since version June, 2008.
-Reindexing within XDS is a final step that might have to be done in order to make the reduced data consistent with another existing dataset, or an atomic model.
+An old version of this page (see the history tab) has the text which referred to its use in older versions of XDS.
-Possible reindexing operators are listed at the bottom of [[IDXREF.LP]]
+== See also ==
-FIXME: insert example here
-''if the [[IDXREF]] step is run in the correct spacegroup''. These operators (usually there's only one) are then applied in the CORRECT step, using the REIDX= keyword and the 12 numbers given.
-Thus there are two possible strategies for XDS data reduction:
+[[ccp4dev:Reindexing|Reindexing]] in the [[ccp4dev:Main_Page|CCP4 developers' wiki]]
-# to use SPACE_GROUP_NUMBER=0 up to and including INTEGRATE, and to use CORRECT to decide upon the spacegroup using the REIDX= operators from the table in IDXREF.LP.
-# to use the known SPACE_GROUP_NUMBER for IDXREF and INTEGRATE.
-The connection between the two philosophies is by doing [[optimization]]: the first pass through the data is done to determine the space group (JOB=XYCORR INIT COLSPOT IDXREF DEFPIX INTEGRATE CORRECT). Then the optimization is performed (JOB=INTEGRATE CORRECT). After this, one obtains possible reindexing operators (JOB=IDXREF), which may then be tested (JOB=CORRECT).