[phenixbb] pseudo-merohedral twinning or pseudo-symmetry?

Gino Cingolani Gino.Cingolani at jefferson.edu
Fri Oct 16 16:19:09 PDT 2009


I had a similar problem. Scaling statistics in P212121 were OK, 
and - of course - no twinning was detected ... but nothing made sense during refinement. Looking at the data more carefully 
I found that if one rescales in P21, the b-angle was stably 
refined to 90.20 with ~30% better Rsym than in orthorhombic. 
When running xtriage on the P21 data, I found the data were indeed "pseudomerohedrally-twinned" with twinning fraction ~0.38.

Good luck!


More information about the phenixbb mailing list