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DATAD, a Python-based X-ray diffraction simulation code, has been developed for simulating one- and two-dimensional diffraction patterns of a polycrystalline specimen with an arbitrary texture under an arbitrary deformation state and an arbitrary detection geometry. Pixelated planar and cylindrical detectors can be used. The basic principles and key components of the code are presented along with the usage of DATAD. As validation and application cases, X-ray diffraction patterns of single-crystal and polycrystalline specimens with or without texture, or applied strain, on a planar or cylindrical detector are simulated.

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Portable Document Format (PDF) file https://doi.org/10.1107/S1600576721000364/nb5294sup1.pdf
Comparison of DATAD with some existing XRD simulation tools. Validation and application cases.


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