diff --git a/.docs/examples/xps.md b/.docs/examples/xps.md new file mode 100644 index 0000000000000000000000000000000000000000..08abcd35bcf0eb4bf6aeb77dd8b859b002494fb3 --- /dev/null +++ b/.docs/examples/xps.md @@ -0,0 +1,47 @@ +--- +author: Martin Weise +--- + +## tl;dr + +[:fontawesome-solid-database: Dataset](https://dbrepo1.ec.tuwien.ac.at/database/27/info){ .md-button .md-button--primary target="_blank" } +[:simple-jupyter: Notebook](https://binder.science.datalab.tuwien.ac.at/v2/git/https%3A%2F%2Fgitlab.tuwien.ac.at%2Ffairdata%2Fxps/HEAD){ .md-button .md-button--secondary target="_blank" } + +## Description + +X-ray Photoelectron Spectroscopy (XPS) is one of the most used methods in material sciences. Irradiation of solid +materials with X-ray radiation kicks out electrons from atoms that are near the atomic nucleus. With XPS data being +highly reproducible once machine parameters are known and understood, the demand for creating a comprehensive database +connecting material properties to compositions via XPS spectra becomes evident. + +## Solution + +We read XPS data from the VAMAS-encoded format and inserted it into a +[database schema](https://gitlab.tuwien.ac.at/fairdata/xps/-/blob/e17860399b1b109c72b01888766f37193dde5870/sql/create_schema.sql) +that captures the VAMAS-schema. It can then be read using the [Python Library](../../api/python). + +<figure markdown> +{ .img-border } +<figcaption>Figure 1: Jupyter Notebook accessing data on DBRepo using the Python Library.</figcaption> +</figure> + +Using the DataFrame representation of the Python Library and the [`plotly`](https://pypi.org/project/plotly/) library, +we can visualize the ordinate values directly in the Jupyter Notebook. + +<figure markdown> +{ .img-border } +<figcaption>Figure 2: Plot of ordinate values encoded within the experiment block.</figcaption> +</figure> + +## DBRepo Features + +- [x] Data preservation of VAMAS-encoded XPS data +- [x] Subset exploration +- [x] External visualization of the database +- [x] Replication of experiments using only open-source software + +## Acknowledgement + +This work was part of a cooperation with the [Institute of Applied Physics](http://www.iap.tuwien.ac.at/). + +<img src="../../images/logos/iap.jpeg" width=100 /> \ No newline at end of file diff --git a/.docs/images/logos/iap.jpeg b/.docs/images/logos/iap.jpeg new file mode 100644 index 0000000000000000000000000000000000000000..a2ed3957ff03ad1e1a2a7a8cae8c4186fb83fe60 Binary files /dev/null and b/.docs/images/logos/iap.jpeg differ diff --git a/.docs/images/screenshots/xps-jupyter.png b/.docs/images/screenshots/xps-jupyter.png new file mode 100644 index 0000000000000000000000000000000000000000..42fca0f1aefee23cf5cec257d593dd8c97df8ea0 Binary files /dev/null and b/.docs/images/screenshots/xps-jupyter.png differ