Data Collection and Refinement Statistics.
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https://figshare.com/articles/dataset/_Data_Collection_and_Refinement_Statistics_/1621947
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Data for the highest-resolution shell are given in parentheses.
Rmerge = ΣhΣi|Ih,i − ⟨Ih⟩|/ΣhΣiIh,i, where the outer sum (h) is over the unique reflections and the inner sum (i) is over the set of independent observations of each unique reflection.
Rwork = ∑hkl||Fobs| − |Fcalc||/∑Fobs, where Fobs and Fcalc are the observed and calculated structure factors of the respective reflections hkl.
Rfree is equivalent to Rwork but is calculated on a random set of reflections corresponding to 5% of all reflections and that are excluded from refinement.
*As defined by MolProbity [52]
Data Collection and Refinement Statistics.
创建时间:
2015-12-11



