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. 2020 Dec 11;5(Pt 12):x201578. doi: 10.1107/S2414314620015783
Refinement on F2 Hydrogen site location: difference Fourier map
Least-squares matrix: full All H-atom parameters refined
R[F2 > 2σ(F2)] = 0.032 w = 1/[σ2(Fo2) + (0.0583P)2 + 0.3312P] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.086 (Δ/σ)max < 0.001
S = 1.08 Δρmax = 0.19 e Å3
3945 reflections Δρmin = −0.20 e Å3
377 parameters Absolute structure: Flack x determined using 1639 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons et al., 2013)
0 restraints Absolute structure parameter: 0.03 (9)
Primary atom site location: dual