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![[Figure 1]](qq5001fig1mag.jpg)
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Figure 1
Data-processing workflows. (a) Diffraction images are collected as the crystal rotates, and background images are taken with the crystal moved out of the beam to record scattering from materials in the beam path (e.g. air and capillaries). Measured intensities are mapped into reciprocal space and corrected for artifacts to produce a map of diffuse scattering. (b) Sequence of DIALS (blue) and mdx2 (orange) command-line programs to process a single rotation data set with experimental background corrections. Diffraction geometry is refined by indexing Bragg peaks (steps 1–5) and the diffuse scattering is then integrated on a three-dimensional grid (steps 6–10). Background corrections are created (steps 11–14) and the integrated data are corrected, scaled and merged (steps 14–18). NeXus-formatted HDF5 files (.nxs extension, green text) are used by mdx2 for data and metadata exchange. See Section 2 ![[link]](../../../../../../logos/arrows/d_arr.gif){kind=small} and Meisburger & Ando (2023) for details of each program. (c) Modified workflow for multi-sweep data. Each sweep is integrated independently in DIALS and then combined to resolve indexing ambiguities with dials.cosym (Gildea & Winter, 2018). Sweeps are processed independently in mdx2 through the correct step; the scaling model is then refined globally and sweeps are merged. |
![[Figure 1]](qq5001fig1.jpg)
 | STRUCTURAL BIOLOGY |
ISSN: 2059-7983
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