aRsym = ∑h∑i |Ii(h)− |/∑h∑i Ii(h), where I is the observed intensity and is the average intensity of multiple observations of symmetry-related reflections. bRrim = ∑h [N/(N−1)]1/2 ∑i |Ii(h)
(a)Values in parentheses are for the highest-resolution shell. (b)Rsym (I) = [∑hkl∑i| - Ihkl,i|]/[∑hkl ∑i|Ihkl|], where i is the number of reflection hkl.