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Figure 5
Steps involved in the OCCR applied to in situ PXRD measurements. The data matrix formed by the collected PXRD profiles (a) is processed by PCA, obtaining (b) the scores and (c) the loadings of the first three PCs. (d) Scatter plot of the scores of the first and third PCs, with the percentages of the total data variance explained by the two PCs reported on the axes. (e) FOM explored by the OCCR procedure, as a function of the θ and ψ rotation angles, where the initial and final rotations are indicated by red dots. (f) Scores and (g) loadings plots of the first and third PCs, recalculated by applying the best rotation found by OCCR. (h) Scatter plot of the recalculated values of the scores of the first and third PCs.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 56| Part 6| December 2023| Pages 1841-1854
https://doi.org/10.1107/S1600576723008348
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