8 May
2012
8 May
'12
5:25 p.m.
On Tue, May 8, 2012 at 10:08 AM, Kelly Daughtry
1. Is it really twinned since including twin-law in refinment gave much better numbers? I would say, it likely is twinned
Actually, Xtriage says not: The results of the L-test indicate that the intensity statistics behave as expected. No twinning is suspected. The symmetry of the lattice and intensity however suggests that the input space group is too low. See the relevant sections of the log file for more details on your choice of space groups. Twinned refinement can be deceptive because it often lowers the R-factors even if twinning isn't present - Garib Murshudov warns about this in his talks on the subject. -Nat