Data Collection and Refinement Statistics.
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*Highest resolution shells in parentheses.aRsym(I) = ∑hkl∑i |Ii(hkl) – I(hkl)>|/∑hkl∑i Ii(hkl) where I(i) is the intensity of the ith observation of the hkl reflection and I(hkl)> is the mean intensity from multiple measurements of the h, k, l reflection.bRcryst(F) = ∑hkl|Fobs(hkl)–Fcalc(hkl)|/∑hklFobs(hkl), where Fobs(hkl) and Fcalc(hkl) are the observed and calculated structure factor amplitudes for the h, k, l reflection.cRfree is Rcryst calculated for a randomly selected test set of reflections (5%) not included in the refinement.Data Collection and Refinement Statistics.
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2015-12-02
