Supporting data for "Pore-Collapse in Amorphous Solid Water: a Dynamics Study"

Reduced data (g2s, I(q), temperatures, etc), analysis code (g2_decomposer), and figures (jupyter notebooks) for the JCP journal article Pore-Collapse in Amorphous Solid Water: a Dynamics Study by Tobias Eklund, Christina M. Tonauer, Keishiro Yamashita, Johannes Giebelmann, Lilli-Ruth Fidler, Aigerim Karina, Hailong Li, Louisa Kraft, Fiona Berner, Niels C. Gießelmann, Robert Bauer, Alexander Gierke, Claudia Goy, Marjorie Ladd-Parada, Fivos Perakis, Fabian Westermeier, Felix Lehmkühler, Thomas Loerting, and Katrin Amann-Winkel. The directory p10_reduced_data contains reduced data (I(q), g2, temperature) from our experiments at P10, PETRA III, DESY, Hamburg. To access the raw detector data, request an archive retrieval of the beamtimes Proposal I-20211355 EC, Application 11012844, P10, 03-Mar-2022 - 09-Mar-2022 Proposal T-20220749 EC, Application 11019107, P10, 29-Feb-2024 - 06-Mar-2024from DESY. The directory g2_analysis contains the version of g2_decomposer (https://github.com/elkund/g2_decomposer) we used, and the analysis results as matlab .mat files. To reproduce the results, run the notebook g2_analysis/g2_decomposer/ASW_multiq_batch_for_paper.m . The directory master dataset contains a script to compile the dynamics data and analysis into an Xarray dataset, and the corresponding master dataset. The directory paper_figures contains a notebook that generates the published figures. This archive was compiled by Tobias Eklund on December 21st 2025.