KherveFitting: An open source software for fitting X‐ray photoelectron spectroscopy data

Kerherve, Gwilherm, Skinner, William S. J., Hochhaus, Julian A., Graf, Arthur, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Isaacs, Mark A., Reed, Benjamen P., Nakajima, Hideki and Payne, David J. 2026. KherveFitting: An open source software for fitting X‐ray photoelectron spectroscopy data. Surface and Interface Analysis 58 (1) , pp. 54-65. 10.1002/sia.70032

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Abstract

KherveFitting is a software written in Python and designed for fitting X‐ray photoelectron spectroscopy (XPS) data. It provides a user‐friendly graphical interface for researchers in materials science and surface analysis, offering features that include multiple background subtraction methods, various peak fitting models, and automated multipeak fitting with customisable constraints. This software aims to fill a gap in the market for XPS analysis tools, providing a freely available solution for users. This paper describes the software architecture and its theoretical background, including fitting algorithms and peak models. Its performance is validated by directly comparing quantification accuracy and peak fitting capabilities against established commercial software packages, demonstrating robust and reliable results across diverse test cases including ionic liquids, conducting oxides, and rare earth materials.

Item Type:	Article
Date Type:	Publication
Status:	Published
Schools:	Schools > Chemistry
Additional Information:	License information from Publisher: LICENSE 1: URL: http://creativecommons.org/licenses/by/4.0/
Publisher:	Wiley
ISSN:	0142-2421
Date of First Compliant Deposit:	1 December 2025
Date of Acceptance:	12 November 2025
Last Modified:	01 Dec 2025 16:30
URI:	https://orca.cardiff.ac.uk/id/eprint/182788

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