Crystallography statistics.
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aValues for the highest resolution shell are shown in parentheses.bRmerge = Σ|Ihkl−hkl>|/ΣIhkl, where I is the observed intensity for reflection hkl, and is the mean intensity.cRwork = Σ||Fo(hkl)|−|Fc(hkl)||/Σ|Fo(hkl)|; Rfree is calculated in the same way with 5–10% of reflections excluded from refinement.
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2015-12-02
