Figure 5
Electron-density map of the unit cell for an organometallic example described in the text. Columns from left to right: the reference structure (blue), the ab initio solution by charge flipping using the threshold parameter (red), the final state after one step of the clean-up procedure using the parameter (also red). Top and bottom rows are isosurface plots with levels and . In all cases, heavy atoms can be identified already above the level of one standard deviation. Light atoms appear only after the clean-up procedure and only at the level. |