SpectraFit XPS: a free, browser-based application for X-ray photoelectron spectroscopy peak fitting and quantification

RESUMO

SpectraFit XPS is a free web application for the analysis of X-ray photoelectron spectroscopy (XPS) data that runs entirely in the browser, with no installation and no server-side processing: spectra never leave the user's computer. It combines an interactive Levenberg--Marquardt fitting engine with true Voigt, Doniach--Šunjić, and summed Gaussian--Lorentzian line shapes; Shirley (static and dynamic), linear, and Tougaard (two- and four-parameter) backgrounds; spin--orbit doublet generation; and expression-based inter-peak constraints. Quantitative analysis supports ten relative-sensitivity-factor sets, several kinetic-energy correction schemes including TPP-2M inelastic mean free paths, angular correction, and atomic and weight percentages, with the underlying database and algorithms adapted from the open-source KherveFitting project. The application reads and writes ISO~14976 (VAMAS) files---including multi-region and depth-profile data and load-time transmission-function correction---and imports common vendor and spreadsheet formats. A publication plotter exports journal-ready SVG/PNG figures. The quantification pipeline reproduces KherveFitting reference values exactly in a 30-case regression suite, part of an automated test set of 100 tests. The application, an illustrated bilingual user guide, and a synthetic demonstration dataset are freely available at this https URL .