Figure 3
Each reflection in a given image will lie on a particular radius of Ewald sphere and have a calculated partiality, as derived from the partiality model described in §2. The red circled lines in (a), (b) and (c) plot the calculated partiality against the Ewald radius on which the rlp lies, divided into three equal resolution bins. This image has been put on the same scale as the merged data set. We can describe the intensity of a reflection on a single image as a percentage of the reference intensity, plotted as a black line with a grey fill. For example, a reflection to the extreme left or right of any of these panels does not lie on any Ewald sphere corresponding to the beam wavelengths and will be essentially 0% of the reference intensity. A reflection in the centre of the plots, however, has a large area of intersection with the peak Ewald sphere, and thus will be around 100% of the reference intensity. The agreement between the red and black lines should be as close as possible. (a) plots reflections from the lowest resolution to 2.31 Å, (b) those from 2.31 to 1.83 Å and (c) those from 1.83 to 1.42 Å. (d, e) These plots aggregate reflections across all images up to 2.5 Å resolution, where the calculated partiality for each reflection [equivalent to the red line in (a), (b) and (c)] is plotted against the percentage of the merged data set [equivalent to the black line in (a), (b) and (c)]. (d) is plotted for the initial merge and (e) is plotted after the final cycle of post-refinement. A random 5% of data using only positive-intensity reflections are plotted for clarity. |