[phenixbb] sigma_iobs_rejection_criterion

Yarrow Madrona amadrona at uci.edu
Tue Jul 10 08:58:33 PDT 2012


Hello,

I am refining a structure using a.eff file that I generated in Phenix
version 1.7 GUI and later ran in the command line. When I try to run the
same refinement in Phenix V.1.8 I get the following error:

For French and Wilson scaling, sigma_iobs_rejection_criterion must be set
between -4.0 and -1.0

I see that it was set to zero previously.

My questions are:

1. Is this the same observed criterion that is reported in the RCSB
Deposition?

2. To be honest I don't understand what this is. Is it a limit for the
error in Iobs, below which the reflection will be discarded?

3. What is a reasonable setting for this input and how does it change the
refinement?

Thank you (I appreciate your help as I know these may be very basic
questions).

-Yarrow



-- 
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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