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. 2022 Apr 12;7(Pt 4):x220380. doi: 10.1107/S2414314622003807
Refinement on F2 Primary atom site location: dual
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.020 H-atom parameters constrained
wR(F2) = 0.046 w = 1/[σ2(Fo2) + (0.0204P)2 + 0.5553P] where P = (Fo2 + 2Fc2)/3
S = 1.09 (Δ/σ)max = 0.002
6594 reflections Δρmax = 0.69 e Å3
372 parameters Δρmin = −0.56 e Å3
0 restraints