[phenixbb] phenix and weak data

[Douglas Theobald]

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




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

dtheobald at brandeis.edu
http://theobald.brandeis.edu/

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