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Figure 1
Data-analysis protocol. Abbreviations: IMG, diffraction image; PL, peak list; L, lattice; X, discarded; R, re-­indexed; S, scaled; dsm, after data-set merging; M, model. Step 1, extraction of a list of high-intensity peaks from each diffraction image. Step 2, lattice identification and refinement, spot search on the images, refinement of parameters and spot integration. Step 3, indexing-ambiguity solution within each data set. Step 4, scaling of intensities within each data set. Step 5, indexing-ambiguity solution and scaling between different data sets. Step 6, data merging and modeling of intensities along Bragg lines. Step 7, indexing-ambiguity solution and scaling of lattices determined in Step 2 using the intensity model as a reference. Step 8, data merging and fitting to obtain the final intensity model and structure-factor amplitude extraction.

IUCrJ
Volume 6| Part 1| January 2019| Pages 34-45
ISSN: 2052-2525
https://doi.org/10.1107/S2052252518014641