[phenixbb] completeness using Intensities vs. structure factor

Yarrow Madrona amadrona at uci.edu
Tue Dec 4 14:47:41 PST 2012


Hi,
(Phenix v.1.8.1-1168)

I recently refined a structure using experimental Intensities and compared
it to the same structure refined with calculated structure factors.

I know if you provide intensities Phenix.refine will convert to structure
factors. I am not sure if it runs truncate or what. Anyway, I get this in
the log file which matches my completeness in the scala log file:

Completeness in resolution range: 0.992202
Completeness with d_max=infinity: 0.992164

When I run using structure factors (Truncate run in Scala) I get the
following:

Completeness in resolution range: 0.901282
Completeness with d_max=infinity: 0.901259

Perhaps Scala did not merge anomolous and non-anomolous data?
This does not may a whole lot of sense to me. Is some data thrown out? Can
someone explain?

Thank you.


-- 
Yarrow Madrona

Graduate Student
Molecular Biology and Biochemistry Dept.
University of California, Irvine
Natural Sciences I, Rm 2403
Irvine, CA 92697




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