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. 2015 Jun 17;71(Pt 7):m141–m142. doi: 10.1107/S2056989015011445
Refinement on F2 Primary atom site location: iterative
Least-squares matrix: full Hydrogen site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.022 All H-atom parameters refined
wR(F2) = 0.058 w = 1/[σ2(Fo2) + (0.0318P)2 + 0.1768P] where P = (Fo2 + 2Fc2)/3
S = 1.03 (Δ/σ)max < 0.001
5019 reflections Δρmax = 0.41 e Å3
218 parameters Δρmin = −0.41 e Å3
0 restraints