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. 2017 Jul 7;73(Pt 8):1130–1134. doi: 10.1107/S2056989017009896
Refinement on F2 0 restraints
Least-squares matrix: full Hydrogen site location: mixed
R[F2 > 2σ(F2)] = 0.036 H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.103 w = 1/[σ2(Fo2) + (0.0543P)2 + 1.0823P] where P = (Fo2 + 2Fc2)/3
S = 1.02 (Δ/σ)max < 0.001
3314 reflections Δρmax = 0.34 e Å3
222 parameters Δρmin = −0.21 e Å3