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Figure 2
Csu-weighted differences between X-ray and neutron measurements for H-atom fractional coordinates at four temperatures for the model ED at BLYP/cc-pVTZ. Rows 1 and 3: histograms with three entries (x, y, z) per atom. Coordinate su's are shown for neutron (green) and X-ray (blue) measurements; the maximum su value is shown on the right axis. Rows 2 and 4: frequency plots.

IUCrJ
Volume 1| Part 5| August 2014| Pages 361-379
ISSN: 2052-2525
doi:10.1107/S2052252514014845