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Figure 1
Flowchart illustrating the XASDAML-based workflow for XAS data analysis, from XAS calculations to model training and prediction analysis. The numbers on each module indicate the recommended execution order. Table 1[link] gives additional details on each module. CN refers to the coordination number of the first shell around the absorber, and CR denotes the average bond length in the absorber's first shell; RDF refers to the radial distribution function.

Journal logoJOURNAL OF
SYNCHROTRON
RADIATION
ISSN: 1600-5775
Volume 32| Part 5| September 2025| Pages 1244-1256
https://doi.org/10.1107/S1600577525005351
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