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FAIR Data Austria DB Repository
DBRepo
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· 1791f016
Martin Weise
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Jun 20, 2024
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---
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
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