Raw experimental data, analysis notebooks, and simulation code associated with the publication:

“Ultrafast X-Ray Thermometry: Contrasting Strain and Debye–Waller Effects in Platinum Thin Films”

Authors

J.-E. Pudell¹, M. Mattern², F. Baltrusch³, F. L. Boariu⁴, M. Kronseder⁵,
R. Shayduk¹, A. Madsen¹, M. Rössle⁴, M. Bargheer⁴˒³, D. Schick², and A. von Reppert³

Affiliations

1. European X-ray Free-Electron Laser Facility, Schenefeld, Germany

2. Max Born Institute for Nonlinear Optics and Short Pulse Spectroscopy, Berlin, Germany

3. Institut für Physik und Astronomie, Universität Potsdam, Germany

4. Helmholtz-Zentrum Berlin, Germany

5. Fakultät Physik, Universität Regensburg, Germany

Correspondence

• Related publication:
  J.-E. Pudell (jan-etienne.pudell@xfel.eu)
  M. Mattern (mattern@mbi-berlin.de)

• Data repository and analysis workflow:
  A. von Reppert (alexander.von.reppert@uni-potsdam.de)

Reproducibility and Repository Structure

The archive is organized by manuscript figure and supplementary figure.
Each figure-related subdirectory contains the corresponding analysis notebooks, exported data products, and plotting scripts required to reproduce the associated results.

The repository further contains:

• the main experimental HDF5 dataset from the KMC3-XPP beamtime at BESSYII:  (252-cw33-13528-pudell.h5),

• reciprocal space map (RSM) data processing and exports,

• simulation input/output files,

• auxiliary processing scripts,

• and notebook-based analysis workflows.

The analyses were performed in a Python/Jupyter environment and rely on the nx5d package for data processing and udkm1Dsim Toolbox for modelling .
For reproducibility, the archive includes:

• a pinned Python package environment (requirements-core.txt),

• and the exact JupyterHub container image specification used for notebook execution.

Detailed repository structure, software environment information, and execution instructions are provided in the included README.md.