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

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 European X-ray Free-Electron Laser Facility, Schenefeld, Germany Max Born Institute for Nonlinear Optics and Short Pulse Spectroscopy, Berlin, Germany Institut für Physik und Astronomie, Universität Potsdam, Germany Helmholtz-Zentrum Berlin, Germany Fakultät Physik, Universität Regensburg, Germany Correspondence Related publication:J.-E. Pudell ([e-mail])M. Mattern ([e-mail]) Data repository and analysis workflow:A. von Reppert ([e-mail]) 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.