Dataset for the article: "Theoretical study of the origin of x-ray atomic background anomalies by a full-potential multiple scattering approach"

This dataset contains numerical data supporting the results presented in the manuscript“Theoretical study of the origin of x-ray atomic background anomalies by a full-potential multiple scattering approach,”submitted to Physical Review B. The dataset includes calculated x-ray absorption cross-sections, extracted EXAFS (Extended X-ray Absorption Fine Structure) signals, their Fourier transforms obtained from Multiple-Scattering calculations, and code used to perform the Fourier transforms. The calculations were performed using the FPMS program, a numerical implementation of the Full Potential Multiple-Scattering (FPMS) theory. The data correspond to the figures presented in the manuscript and are organized into folders labeled according to the figure numbers (FIG2, FIG3, FIG4, FIG5, FIG7, FIG8, FIG10, and FIG11). For each figure, the dataset includes the raw calculated absorption cross-sections, background functions used for EXAFS extraction, processed EXAFS signals, and the corresponding Fourier transform spectra. Detailed descriptions of the theoretical background, calculation conditions, and data formats are provided in the accompanying README file and in the supplemental documentation included in this dataset. These data are provided to ensure transparency and reproducibility of the numerical results reported in the manuscript.