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Revision as of 08:55, 10 January 2014
, 08:55, 10 January 2014→Space group selected by XDS
XDS (or rather, the CORRECT step) makes an attempt to pick the correct space group automatically: it chooses that space group which has the highest symmetry (thus yielding the lowest number of unique reflections) and still a tolerable R<sub>meas</sub> compared to the R<sub>meas</sub> the data have in any space group (which is most likely a low-symmetry space group - often P1).
XDS (or rather, the CORRECT step) makes an attempt to pick the correct space group automatically: it chooses that space group which has the highest symmetry (thus yielding the lowest number of unique reflections) and still a tolerable R<sub>meas</sub> compared to the R<sub>meas</sub> the data have in any space group (which is most likely a low-symmetry space group - often P1).
In many cases the automatic choice is the correct one, and re-running the CORRECT step is then not necessary. However, screw axes (see below) are not determined automatically in the XDS version of June 2008.
In many cases the automatic choice is the correct one, and re-running the CORRECT step is then not necessary. However, screw axes (see below) are not determined automatically by XDS.
== Space group selected by user ==
== Space group selected by user ==
