PyMCA (X-Ray Spectrum Analysis in Python) is the set of applications implementing most of the needs of X-ray fluorescence data analysis.
The PyMCA Toolkit is a collection of tools designed for the analysis and visualization of energy-dispersive X-ray fluorescence data.

Stand-alone software and Python tools for interactive and/or batch processing analysis of X-Ray Fluorescence Spectra. Graphical user interface (GUI) and batch processing abilities provided.

PyMCA builds its graphic interface and plotting routines on top of the C++ libraries Qt and Qwt thru their respective Python bindings PyQt and PyQwt. Nevertheless, the data analysis routines can be used independently of any graphical interface.

Up to date most, if not all, spectrum fitting for X-ray fluorescence measurements at the ESRF (ID13, ID18F, ID21, ID22) has been performed using externally supplied program (generally based on the AXIL program developed at the University of Antwerp, Belgium). Whilst this program is fairly robust and reliable, we have very little influence over its development and consequently its direct integration into our control system and subsequent data analysis routines is not straightforward. A further limitation is that we can not distribute that program to our user community.

A feature-rich non-linear least-squares fitting software had been already developed as part of the tools of the BLISS group at the ESRF and had been used among others by the NewPlot visualization package. That fitting application, based on the Levenberg-Marquardt algorithm, is implemented entirely in Python, thus ensuring a high level of platform compatibility and straightforward integration with the ESRF control system. The logical step to follow was to write a dedicated function to describe the x-ray fluorescence spectra and feed that function to the fitting module.

The need to have an easy way to setup the configuration parameters of the fit, led to the development of a complete visualization and data analysis tool, PyMCA, that relies on Qt and Qwt to build its graphical interface and plotting routines. Nevertheless, the fitting code can run in prompt/batch mode fully independent of any graphical package, and its output file, can be used by other python module (also GUI independent) to automatically generate a fully detailed HTML report that can be visualized by any browser.

The license of this software is Free, you can free download and free use this calculator software.