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Figure 3
Tracking net crystal reorientation with serial crystallography data processing tools. (a) Diffraction frames from three points in a series on a stationary Cu(II)-serine crystal (200 kV, room temperature), overlaid with markers (magenta) at spot positions predicted for the orientation determined for the initial frame by nXDS. (b) Predicted spot positions from orientations determined for each frame individually, (magenta, teal and red markers), overlaid on the same three frames. (c) Calculated angular change in each unit-cell vector from its initial position as a function of fluence, and net rotation of the unit cell from its initial orientation following delivery of 1.50 e− Å−2 accumulated fluence. (d)–(f) The same is shown for a stationary Zn(II)-histidine crystal, which undergoes less dramatic reorientation. Note fewer diffraction frames were successfully indexed in this case.

IUCrJ
Volume 12| Part 2| March 2025|
ISSN: 2052-2525
https://doi.org/10.1107/S2052252524012132