[phenixbb] phenix and weak data

Douglas Theobald dtheobald at brandeis.edu
Thu Dec 6 14:35:52 PST 2012

Hi all,

Many have argued that we should include weak data in refinement --- e.g., reflections much weaker than I/sigI=2 --- in order to take advantage of the useful information found in large numbers of uncertain data points (like argued in the recent Karplus and Diederichs Science paper on CC1/2).  This makes sense to me as long as the uncertainty attached to each HKL is properly accounted for.  However, I was surprised to hear rumors that with phenix "the data are not properly weighted in refinement by incorporating observed sigmas" and such.  I was wondering if the phenix developers could comment on the sanity of including weak data in phenix refinement, and on how phenix handles it.  


Douglas L. Theobald
Assistant Professor
Department of Biochemistry
Brandeis University
Waltham, MA  02454-9110

dtheobald at brandeis.edu

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