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Published May 27, 2022 | Version 1.0.0
Dataset Open

Reflectometry curves (XRR and NR) and corresponding fits for machine learning

Contributors

Data collector:

  • 1. Universität Tübingen

Description

This is a compiled dataset of raw X-ray reflectivity (XRR, reflectometry) measurements together with corresponding fit parameters, intentionally published to use as training or test data for machine learning models. (The authors aim to include NR data in further versions of this dataset and plan to include other substrates and materials for XRR. Contributions welcome!)


An interactive documentation can be found in "README.html" or at https://schreiber-lab.github.io/reflectometry-dataset.

  • Data structure

All data is provided in an hdf5 file, following NeXus convention with respect to the provided metadata in the hdf5 attributes. Some datesets have been measured in-situ and therefore there are stacks of curves that correspond to the different layer thicknesses of the same material on top of SiOx. The measured data is provided under experimental and the corresponding fit parameters under fit. Additional information is collected in metadata.

  • Where to find the dataset and how to contribute

Have a look at github and zenodo. In case you wish to contribute further curves to this dataset or have ideas how to improve the dataset or where else to deposit it, please contact the authors at softmatter AT ifap.uni-tuebingen.de.

Files

README.ipynb

Files (15.7 MB)

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Additional details

Related works

Is reviewed by
Journal article: 10.1107/S1600576722002230 (DOI)
Is supplemented by
Software: 10.5281/zenodo.6467048 (DOI)

Subjects

reflectometry
http://purl.org/pan-science/PaNET/PaNET01121
x-ray reflectivity
http://purl.org/pan-science/PaNET/PaNET01149
neutron reflectometry
http://purl.org/pan-science/PaNET/PaNET01239