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. 2015 May 13;71(Pt 6):606–608. doi: 10.1107/S2056989015008750
Refinement on F2 Primary atom site location: structure-invariant direct methods
Least-squares matrix: full Hydrogen site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.037 All H-atom parameters refined
wR(F2) = 0.098 w = 1/[σ2(Fo2) + (0.0578P)2 + 0.2118P] where P = (Fo2 + 2Fc2)/3
S = 1.06 (Δ/σ)max < 0.001
1759 reflections Δρmax = 0.21 e Å3
176 parameters Δρmin = −0.17 e Å3
0 restraints