Figure 3.

Intensity statistics for the partial unmerged data integrated without a target cell. The main plot shows a monotonically decreasing trend for intensities as a function of increasing scattering angle. The plots on the left, aggregated from the per-frame pseudo-Wilson plots (examples are shown in Supplementary Fig. S2), show a number of outliers, consistent with the presence of outliers in Fig. 1 ▶. A similar plot, but for when the long cell was used as a crystal target, exhibits fewer outliers and is shown as Supplementary Fig. S3. Extreme values of either G (scale factor; intercept in the main plot) or −2B (the slope in the right-hand plot) may be caused by mis-indexing, and a filter to remove these can be applied by using the clustering toolkit from within a Python script within the cctbx.xfel environment.