XPS Data

tl;dr

 Dataset  Notebook

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 that captures the VAMAS-schema. It can then be read using the Python Library that executes a database query in SQL to obtain only the experiment data (c.f. subset page).

Figure 1: Jupyter Notebook accessing data on DBRepo using the Python Library.

Using the DataFrame representation of the Python Library and the plotly library, we can visualize the ordinate values directly in the Jupyter Notebook.

Figure 2: Plot of ordinate values encoded within the experiment block.

DBRepo Features

• Data preservation of VAMAS-encoded XPS data
• Subset exploration
• External visualization of the database
• Replication of experiments using only open-source software

Acknowledgement

This work was part of a cooperation with the Institute of Applied Physics.