[phenixbb] xtriage to double-check symmetry

Frank von Delft frank.vondelft at sgc.ox.ac.uk
Thu Sep 17 02:19:05 PDT 2009


We were trying to decide whether a structure is P65 or P6522:  data 
merges fine in latter, and NCS is perfect, but R/Rfree are significantly 
worse (32/37-ish vs 23/28 for P65).

So I thought I'd listen to xtriage:  seemed easy since I have both data 
and model in P6522, and I ran:
     phenix.xtriage final.mtz reference.structure.file=final.pdb

I'm not sure it's done anything, though - at least, I can't find the 
table shown on the 4th-last slide of this presentation:

Something I said / did not say?  Do I *have* to run it in P1?


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