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Documentation for pynxtools-xps

pynxtools-xps is a free, open-source data converter for X-ray photoelectron spectroscopy (XPS) using NeXus. It reads heterogeneous vendor formats and produces standardized NXmpes and NXxps NeXus files, making XPS data FAIR (findable, accessible, interoperable, and reusable). It works both as a standalone reader tool and as a plugin for NOMAD, the open-source data management platform for materials science we are developing with FAIRmat.

pynxtools-xps solves the challenge of using heterogeneous and undocumented data formats which is common in X-ray Photoelectron Spectroscopy. In addition, it provides an interface for writing readers for different file formats to be mapped to NeXus.

pynxtools-xps is useful for scientists from the XPS community that deal with heterogeneous data, for technology partners and data providers looking for ways to make their data FAIRer, and for research groups that want to organize their data using NeXus and NOMAD.

Tutorials

A series of tutorials giving you an overview on how to store or convert your XPS data to NeXus compliant files.

How-To Guides

How-to guides provide step-by-step instructions for a wide range of tasks, with the overarching topics:

Explanation

The explanation section provides background knowledge on the implementation design, how the data is structured, how data processing can be incorporated, how the integration works in NOMAD, and more.

Reference

The following file formats are supported. The reader selects the correct parser automatically based on the file extension.

Contact

For questions or suggestions:

Project and community

The work is funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) - 460197019 (FAIRmat).