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. 2018 Jan 1;74(Pt 1):41–44. doi: 10.1107/S2056989017017741
Refinement on F2 0 restraints
Least-squares matrix: full Hydrogen site location: mixed
R[F2 > 2σ(F2)] = 0.039 H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.114 w = 1/[σ2(Fo2) + (0.0593P)2 + 0.0364P] where P = (Fo2 + 2Fc2)/3
S = 1.09 (Δ/σ)max < 0.001
2776 reflections Δρmax = 0.16 e Å3
203 parameters Δρmin = −0.15 e Å3