Figure 6
Errors in the total structure factor. (a) The unit cell contains six symmetry-related molecules. The atoms have errors in their positions and scattering, indicated by the arrows and concentric circles, respectively. (b) By the central limit, the probability distribution for the sum of the structure-factor contributions from all the atoms is a two-dimensional Gaussian in reciprocal space, centred at DFc, where 0 < D < 1, shown with grey shading. The structure-factor contributions from atoms and molecules as in Fig. 4 are shown in pink. |