Figure 1
Comparison of 2Fo − Fc and Fo − Fc maps for (a) spherical atom, (b) Quantum-M, and (c) multipole models. Level charge density surfaces in 2Fo − Fc maps are rendered using a blue wireframe at a level of 1-sigma. Level surfaces in Fo − Fc maps are shown in green (positive electron density, negative charge) and red (negative electron density, positive charge) wireframes at 3-sigma. The figure was created using COOT (Emsley et al., 2010). |