Values in parentheses are for the outermost shell. †Rmerge = ∑hkl ∑i |Ii(hkl)– |/∑hkl ∑i Ii(hkl), where Ii(hkl) is the ith observation of reflection hkl and is the weighted average int
aRsym = ∑h∑i |Ii(h)−I(h)>|/∑h∑i Ii(h), where I is the observed intensity and I> is the average intensity of multiple observations of symmetry-related reflections.bRrim = ∑h [N/(N−1)]1/2 ∑i |Ii(h)−I(h)
Numbers in parentheses belong to the outer shell.†Rmerge = ∑hkl∑i |Ii(hkl) - |/∑hkl∑i Ii(hkl), where Ii(hkl) is the observed intensity for a reflection and is the average intensity obtained from multi
