On 05/21/15 11:56, Mohamed Noor wrote:
Dear all
I can process my 3.8 A dataset in either P4 or P422 point groups.
Do the scaling statistics look similar for both? If so, go with P422.
Trying to enforce an incorrect symmetry operator would blow up your stats.
MR searches and refinement in SG P41 and P41212 results in R/Rfree of around
30/35 % with 8 and 4 NCS copies, respectively. Pointless doesn't seem to
complain but Xtriage suggests 25 % twinning in the former (refinement was done
without twin law) and that the true point group could be P422. So do I go with
P422?
Secondly, where can I find the DIALS equivalent to XDS FRAME.cbf? The
statistics are slightly better but I prefer to confirm it visually. I recently
had a case of pseudosymmetry which makes me suspicious of automated processing
suggestions.
Thanks.
--
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All Things Serve the Beam
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David J. Schuller
modern man in a post-modern world
MacCHESS, Cornell University
schul...@cornell.edu
