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. 2008 Sep 13;64(Pt 10):i67–i68. doi: 10.1107/S1600536808028377
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)] = 0.035 Hydrogen site location: difference Fourier map
wR(F2) = 0.102 H atoms treated by a mixture of independent and constrained refinement
S = 1.16 w = 1/[σ2(Fo2) + (0.059P)2 + 3.8213P] where P = (Fo2 + 2Fc2)/3
1228 reflections (Δ/σ)max < 0.001
101 parameters Δρmax = 0.55 e Å3
10 restraints Δρmin = −1.38 e Å3