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. 2015 Jun 20;71(Pt 7):813–815. doi: 10.1107/S205698901501155X
Refinement on F2 0 restraints
Least-squares matrix: full Hydrogen site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.025 H-atom parameters constrained
wR(F2) = 0.072 w = 1/[σ2(Fo2) + (0.0362P)2 + 1.4203P] where P = (Fo2 + 2Fc2)/3
S = 1.09 (Δ/σ)max < 0.001
1291 reflections Δρmax = 0.57 e Å3
88 parameters Δρmin = −0.54 e Å3