Figure 4
Static deformation density (a)–(c) and residual density (d)–(f) for models for urea based on extracted powder structure-factor lists compared with single crystal (Birkedal et al., 2004). The OHGI structure-factor list is extracted using the aspherical atomic density (MM), which gave better results than the IAM extraction. The AVID plots are based on IAM-extracted structure factors. Contour levels are 0.2 and 0.05 e Å−3 for the deformation and residual density, respectively. |