Figure 4
Typical diffraction simulation from a randomly oriented crystal. The detail in the inset confirms that Bragg spots have the appearance of radially oriented streaks, resulting from the combined effects of the broad XFEL bandpass, crystal mosaicity and energy-dependent structure factors. The region of interest (red) defines the subset of data in the 2.1–2.5 Å annulus, and within position angles 150–210°, selected for the analysis of Fe scattering factors. Although the crystal scale factor GL is generally considered to be resolution-dependent for data merging (Bolotovsky et al., 1998), the use of a narrow resolution annulus in this case justifies the use of a single constant in equation (16). |