Re: [phenixbb] phenixbb Digest, Vol 98, Issue 2

Am 14.01.14 21:00, schrieb [email protected]:

PS. It's possible I'm still misunderstanding the meaning of FRIEDEL'S_LAW=TRUE. Under what circumstances does XDS output anomalous vs. non-anomalous data?

This keyword affects the way the statistics are calculated in CORRECT.LP: with FRIEDEL'S_LAW=FALSE the members of Bijvoet pairs are treated as separate reflections, which almost doubles the number of unique reflections, affecting the reported completeness and R-values, I/sigmas and so on. The reflection output file XDS_ASCII.HKL has unmerged intensities in all cases (whether FRIEDEL'S_LAW=TRUE or FALSE). Phenix should ignore the FRIEDEL'S_LAW setting in XDS_ASCII.HKL. hope this helps, Kay