Space group determination: Difference between revisions

Space group determination (view source)

17 bytes added , 23 February 2015

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 === dealing with alternative indexing ===
-As the old REIDX= input has lost its importance, it is useful to keep in mind that there are two ways to have XDS choose an indexing consistent with some other dataset:
+There are two ways to have XDS choose an indexing consistent with some other dataset:
 * using REFERENCE_DATA_SET=    ! see also [[REFERENCE_DATA_SET]]
-* using UNIT_CELL_A-AXIS=, UNIT_CELL_B-AXIS=, UNIT_CELL_C-AXIS= from a previous data collection run with the same crystal (see [http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#UNIT_CELL_A-AXIS=])
+* using [http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#UNIT_CELL_A-AXIS= UNIT_CELL_A-AXIS=], UNIT_CELL_B-AXIS=, UNIT_CELL_C-AXIS= from a previous data collection run with the same crystal
-See http://www.ccp4.ac.uk/html/reindexing.html
+One can also manually force a specific indexing, using the REIDX= keyword, but this is error-prone.
+See also http://www.ccp4.ac.uk/html/reindexing.html
 == Screw axes ==