Figure 8.

Pixel-level analysis of the Bragg spot observations. (a) Detail of one Bragg spot from a simulated image, focusing on the ‘shoebox’ identified by DIALS as the bounding box for the signal and surrounding background. Due to Bragg’s law (λ = 2dsinθ), pixels at different diffraction angles θ correspond to different X-ray wavelengths, along a line radially extending from the direct beam position. In this instance a 1 pixel dispacement corresponds to a 3.8 eV energy difference, yet the approach of this paper allows us to combine data from many spots to effectively resolve scattering factors at the electron-Volt level. (b) Two other simulated Bragg spots, along with (c) a model of each spot omitting the background scatter and shot noise. (d) As in (c), but color coding each pixel by the average X-ray energy represented by the recorded photons, and (e) separate calculations of the F ² _latt(S) factor contributed by four separate energy channels (7096, 7110, 7124 and 7138 eV). (e) assumes equal incident photon intensities for each channel.