Data Collection and Refinement Statistics.
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https://figshare.com/articles/dataset/_Data_Collection_and_Refinement_Statistics_/584793
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1The values corresponding to the outermost shell are given within parentheses.
aR-merge = ΣhΣi|Ih,i−〈Ih〉|/ΣhΣ Ih,i where 〈Ih〉 is the mean intensity of symmetry-related reflections, Ih,i.
bR-factor = Σ||Fo|−|Fc||/Σ|Fo| where Fo and Fc are the observed and calculated structure factor amplitudes, respectively.
cR-free is calculated for about 2% of the data withheld from refinement.
创建时间：
2013-02-21
