Hi Gabriela,
Can you give us some more info? What are the excat r-values in all space groups?
How does the refinement in p321 or p312 look?
Cheers,
Peter
2010/1/2 Gabriela Guédez
Hi Phenixbb,
I have a data that indexes in P6122, also P61 and P31. Data analysis in phenix.xtriage says no twinning is suspected according to the L-test.
However, after MR and twin RB refinement, the model improves from P6122 or P61 to P31 5% Rfacs and 0.5 the FOM.
I thought the data might have RPS and twinning not detected with the L-test. So, i ran xtriage to compute the RvsR statistics using the obs_and_calc.mtz file and the results were:
in P61 R_abs_twin observed data : 0.112 R_abs_twin calculated data : 0.047
in P31 R_abs_twin observed data : 0.117 R_abs_twin calculated data : 0.139
"misespecified crystal symmetry", according to Lebedev, Vagin, Murshudov et al 2006, Acta Cryst. D62,83-95.
I would like to know a test that tells me the right symmetry.
I appreciate your help. Thanks,
Gabriela
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