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Symmetry



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In response to Gloria Borgstahl's enquiry and Bart Hazes reply:

It is vital to realise that just changing the symmetry in the MTZ
header will NOT allow you to run SCALA in the different space groups.
The preferred route is to ues REINDEX followed by MTZSORT and only
then re-run SCALA.

SCALA absolutely requires symmetry related reflections to be grouped
together in the MTZ file (hence the need for the MTZSORT stage).
Simply changing the spacegroup symmetry in the absence of regrouping
the symmetry related reflections WILL NOT WORK.

            Andrew Leslie