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Figure 2
Our synthetic XRD scan generation framework. Based on a library of minerals, a database of base scans with variations of unit-cell parameters, PO and CS is generated. Then, we mix the single-phase diffraction patterns into a multiphase mixture using randomly picked phases and base scans that we scale according to their also randomly assigned weight percentages, wpi. Finally, we add a polynomial background function, air scattering and noise to complete the fully simulated compound XRD scan.

IUCrJ
Volume 8| Part 3| May 2021| Pages 408-420
ISSN: 2052-2525
https://doi.org/10.1107/S2052252521002402