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Figure 2
The simulation of the diffraction pattern from a three-dimensional array of point scatterers with dimensions 40 × 39 × 40 nm with point separations of 2 × 3 × 4 nm using a wavelength of 1.54 nm. The whole pattern is revealed in a logarithmic plot (a). When plotted on a linear scale (b) there are six `peaks' observed. This is very characteristic of data from XFELs. Diffraction based on the conventional theory would reveal nothing in this arbitrary orientation (these are not in the Bragg condition). The central peak in (a) is the direct beam and is removed from the linear plot in (b), to reveal the other peaks with linear scaling. The plots are displayed on a radius of 2θ out to a maximum of 90°. The peaks can be indexed based on their 2θB values and the restriction 0 < Ω < 2θB, yet their intensities vary significantly indicating that the reciprocal-lattice points cannot all be close to their Bragg conditions. It can be seen in (b) on a linear scale that peak intensities <∼1% of the most intense peak are not observed.

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