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. 2022 Feb 17;7(Pt 2):x220148. doi: 10.1107/S2414314622001481
Refinement on F2 Primary atom site location: dual
Least-squares matrix: full Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.040 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.112 H-atom parameters constrained
S = 1.03 w = 1/[σ2(Fo2) + (0.0524P)2 + 1.0724P] where P = (Fo2 + 2Fc2)/3
8009 reflections (Δ/σ)max = 0.001
334 parameters Δρmax = 0.78 e Å3
0 restraints Δρmin = −0.45 e Å3