Crystallographic data-collection statistics.
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aData completeness treats Bijvoët mates independently. bStatistics for the highest resolution shells are given in parentheses. cRmerge = ∑hkl∑i|I(hkl)I − < I(hkl) >|/∑hkl∑i< I(hkl)i >. dSubstructure determination parameters are from ShelxD. eCC = [∑wEoEc∑w - ∑wEo∑wEc]/{[∑wEo2∑w - (∑wEo)2] [∑wEc2∑w -(∑wEc)2]}1/2, where w is weight. CCall/CCweak is the correlation coefficient for all and weak reflections of the best solution. fFOM, figure of merit = | F(hkl)best|/|F(hkl)|; F(hkl)best = ∑P(α)Fhkl(α)/∑P(α).
创建时间：
2014-04-11
