Fig. 1: Example simulated signals used in the tests. | npj Computational Materials

Fig. 1: Example simulated signals used in the tests.

From: Stretched non-negative matrix factorization

Fig. 1

These were from a linear combination of the PDFs of BaTiO3 and ZnSe where each was computed with a linearly expanding cubic lattice parameter. The PDFs are plotted offset from one another expanding from the bottom to the top of the figure. In the curves shown an overall expansion values of 20% and 10% was used from the first to the last curve. Top panel shows the simulated XRD and the bottom panel shows the PDF.

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