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Figure 6
Initial indexing of the various datasets recorded along the illumination scheme. Each dataset was indexed by autoPROC with the space group P43212 as input. The percentage of spots indexed in the space group P43212 is represented as a function of time on a logarithmic timescale. All datasets recorded prior to, and during illumination can be confidently indexed in the space group P43212 (>50%). Datasets recorded during the first 60 to 80 s of the relaxation step also show a majority of spots initially indexed in the space group P43212. However, after 60 s, datasets begin to have less than 50% spots initially indexed in the tetragonal space group. For late time points (above 200 s), datasets exhibit an indexing percentage in the space group P43212 below 15% and can only be reliably indexed and reduced in the space group P212121. The fact that all datasets recorded during a second illumination step can be indexed in the space group P43212 demonstrates the reversibility of the space group conversion.

IUCrJ
Volume 9| Part 6| November 2022| Pages 756-767
ISSN: 2052-2525
https://doi.org/10.1107/S2052252522009150