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Space group determination: Difference between revisions
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* There is still the old Wiki page [[Old way of Space group determination]] | * There is still the old Wiki page [[Old way of Space group determination]] | ||
* To prevent XDS from trying to find a better space group than the one with the lowest R<sub>meas</sub> (often P1), you could just use MAX_FAC_Rmeas= 1.0 | * To prevent XDS from trying to find a better space group than the one with the lowest R<sub>meas</sub> (often P1), you could just use MAX_FAC_Rmeas= 1.0 | ||
* Space group determination is not a trivial task. There is a number of difficulties that arise - | |||
** ambiguity of hand of screw axis (e.g. 3<sub>1</sub> versus 3<sub>2</sub>, or 6<sub>2</sub> versus 6<sub>4</sub>) | |||
** twinning may make a low-symmetry space group look like a high-symmetry one | |||