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Figure 4
High-resolution [[({\sin \theta /\lambda } )] ≥ 0.8 Å−1] residual density maps for a second water molecule before (a) and after (b) modelling of the anharmonicity features with third-order Gram–Charlier parameters. Maps computed with reflections fulfilling the I ≥ [3\sigma (I)] condition; linear 0.03 e Å−3 contours; blue solid lines – positive values, red dashed lines – negative values.)

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 70| Part 5| October 2014| Pages 847-855
doi:10.1107/S2052520614017570
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