lmfitxps 4.2.0

Introduction

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 that use the convolution of a Gaussian with model functions of the limit-package.

In addition to models for fitting signals in XPS data, lmfitxps introduces several background models that can be included in the fit model for fitting the data rather than subtracting 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!

Installation

To install lmfitxps, simply use pip:

pip install lmfitxps

How to cite

Feel free to share your publication using lmfitxps in the Discussion tab!

List of Publications using lmfitxps

• A. 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).
• P. Schöngrundner Search for crystalline SiO2 on the wet chemically treated 6H-SiC(0001) surface TU Wien, Thesis (2024)
• J. A. Hochhaus et al. Structural analysis of Sn on Au(111) at low coverages: Towards the Au2Sn surface alloy with alternating fcc and hcp domains Sci. Rep. 15, 7953 (2025).
• T.R. Acharya et al. Non-thermal plasma-mediated green synthesis of chitosan-functionalized gold nanoparticles for enhanced cancer immunogenicity J. Ind. Eng. Chem. 36 (2025).
• J. A. Hochhaus et al. First evidence of a square-like Sn lattice on the Au2Sn surface alloy on Au(111) Appl. Surf. Sci., 164470 (2025).

Publications that use LG4X-V2, a graphical user interface (GUI) for XPS/XAS analysis that heavily utilizes lmfit and lmfitxps, are also included.