Release of lmfitxps on pypi

This release is intended as initial release to create a DOI using zenodo.

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, 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!

Installation

To install lmfitxps, simply use pip:

pip install lmfitxps

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