Welcome to lmfitxps, a small Python package designed as an extension for the popular lmfit package , specifically tailored for X-ray Photoelectron Spectroscopy (XPS) data analysis.
While lmfit provides simple tools to build complex fitting models for non-linear least-squares problems and applies these models to real data, as well as introduces several built-in models, lmfitxps acts as an extension to lmfit designed for XPS data analysis. lmfitxps provides a comprehensive set of functions and models that facilitate the fitting of XPS spectra. In particular, lmfitxps provides several models, which use the convolution of a gaussian with model functions of the lmfit-package.
In addition to models for fittig signals in XPS data, lmfitxps introduces several background models which can be included in the fit model for fitting the data rather then substracting a precalculated background. This is the so-called active approach as suggested by A. Herrera-Gomez and generally leads to better fit results. For further details, please refer to the documentation of lmfitxps and lmfit!
To install lmfitxps, simply use pip:
pip install lmfitxps
- Alexander Kononov, Fullerene and bismuth clusters on nanostructured oxide films, Dissertation (2024)
- K. Teenakul et al. Treatment of carbon electrodes with Ti3C2Tx MXene coating and thermal method for vanadium redox flow batteries: a comparative study RSC Adv., 14, 12807-12816 (2024).
- P. Weinert et al. Structural, chemical, and magnetic investigation of a graphene/cobalt/platinum multilayer system on silicon carbide Nanotechnology, 35 165702 (2024).
- P. Lamichhane et al. Investigating the synergy of rapidly synthesized iron oxide predecessor and plasma-gaseous species for dye-removal to reuse water in irrigation Chemosphere, 24 143040 (2024).
- P. Weinert Structural, chemical, and magnetic investigation of a graphene/cobalt/platinum multilayer system on silicon carbide : About the formation of magnetic structures in 2D cobalt layers Dissertation (2024).
Publications that use LG4X-V2, a graphical user interface (GUI) for XPS/XAS analysis that heavily utilizes lmfit and lmfitxps, are also included.