Data collection and refinement statistics.
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a Statistics for the highest-resolution shell are shown in parentheses.
b Mean [I/σ(I)] is the average of the relation between the intensity of the diffraction and the background.
c Rmeas = {Σhkl [N/(N-1)]1/2 Σi |Ii(hkl)—<I(hkl)>|} / Σhkl ΣiIi(hkl), where Ii(hkl) are the observed intensities, <I(hkl)> are the average intensities and N is the multiplicity of reflection hkl.
d R-work = Σhkl {[Fobs(hkl)]—[Fcalc(hkl)]} / Σhkl [Fobs(hkl)], where Fobs(hkl) and Fcalc(hkl) are the structure factors observed and calculated, respectively.
e R-free corresponds to Rfactor calculated using 2% of the total reflections selected randomly and excluded during refinement.
f Ligands: glycerol, ethylene glycol, ethanol.
g RMSD is the root mean square deviation.
Data collection and refinement statistics.
创建时间：
2015-04-16
