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Figure 5
Scheme summarizing the different data processing procedures for the extraction of the reflection intensities (.hkl files) with respect to the collected serial data and the type of structure refinement carried out in each case (CIFs as final output). Kinematical refinements are highlighted in red and dynamical in blue. `Profile fitting' and `Extract. per pattern' reflection intensity methods were performed in PETS2, and `Scaling ref.' (surrounded by dashed lines) in diffractem/CrystFEL. The R parameter for each structure refinement is calculated from the observed reflections up to 2 Å−1 / 0.5 Å resolution in JANA2020.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 58| Part 4| August 2025| Pages 1249-1260
https://doi.org/10.1107/S1600576725005606
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