Figure 2
C1—C2—N plane of density maps of α-glycine. (a), (b) Residual density (difference Fourier map) with contours at 0.05 e Å−3; (c), (d) dynamic deformation density [equation (4)] with contours at 0.05 e Å−3; (e), (f) MEM density with contours at 0.2 e Å−3 up to 2.5 e Å−3. For (a), (c), (e) the INV prior, and for (b), (d), (f) the MP prior has been used. Numbers on axes indicate the distance in Å with respect to an arbitrarily selected origin. Solid lines denote positive values, dotted values denote negative values and dashed lines are the zero contour. |