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. 2010 May 15;66(Pt 6):m642–m643. doi: 10.1107/S1600536810016776
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)] = 0.027 Hydrogen site location: difference Fourier map
wR(F2) = 0.076 All H-atom parameters refined
S = 1.04 w = 1/[σ2(Fo2) + (0.0406P)2 + 0.6602P] where P = (Fo2 + 2Fc2)/3
11816 reflections (Δ/σ)max = 0.008
659 parameters Δρmax = 0.48 e Å3
0 restraints Δρmin = −0.34 e Å3