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. 2016 Feb 20;72(Pt 3):382–386. doi: 10.1107/S205698901600267X
Refinement on F2 Primary atom site location: structure-invariant direct methods
Least-squares matrix: full Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.058 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.123 H atoms treated by a mixture of independent and constrained refinement
S = 1.03 w = 1/[σ2(Fo2) + (0.0374P)2 + 0.7569P] where P = (Fo2 + 2Fc2)/3
3339 reflections (Δ/σ)max < 0.001
263 parameters Δρmax = 0.29 e Å3
3 restraints Δρmin = −0.29 e Å3