aNumbers in brackets refer to the statistical data for the outer resolution shell.bRmerge = ΣhΣi|Ii (h)−|/ΣhΣii (h)>, where Ii (h) is the intensity of an individual measurement of the reflection, and
Values in parentheses are for the highest-resolution shell. aRmerge = ∑hkl∑i|Ii(hkl) − |/∑hkl∑iIi(hkl), where Ii(hkl) is the ith observation of the reflection (hkl) and is the mean
