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. 2022 Mar 10;7(Pt 3):x220248. doi: 10.1107/S2414314622002486
Refinement on F2 Primary atom site location: dual
Least-squares matrix: full Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.108 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.378 H-atom parameters constrained
S = 1.63 w = 1/[σ2(Fo2) + (0.2P)2] where P = (Fo2 + 2Fc2)/3
2786 reflections (Δ/σ)max < 0.001
240 parameters Δρmax = 0.45 e Å3
30 restraints Δρmin = −0.24 e Å3