[phenixbb] phenixbb Digest, Vol 98, Issue 2

Kay Diederichs kay.diederichs at uni-konstanz.de
Tue Jan 14 13:19:54 PST 2014

Am 14.01.14 21:00, schrieb phenixbb-request at phenix-online.org:
> 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,


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