Data Collection and Refinement statistics.
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https://figshare.com/articles/dataset/_Data_Collection_and_Refinement_statistics_/584336
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资源简介：
aNumbers in parentheses are for the highest resolution shell.
bRmerge = ΣhklΣi|I(hkl;i)−〈I(hkl)〉|/ΣhklΣiI(hkl;i), where I(hkl;i) is the intensity of an individual measurement of a reflection and 〈I(hkl)〉 is the average intensity of that reflection.
cR = Σhkl||Fobs(hkl)|−|Fcalc(hkl)||/Σhkl|Fobs(hkl)|, where |Fobs(hkl)| and |Fcalc(hkl)| are the observed and calculated structure facture amplitudes.
dRfree equals the R-factor of test set (5% of the data removed prior to refinement).
创建时间：
2008-12-26
