Radiationless Decay Spectrum of O 1s Double Core Holes in Liquid Water - data

Data set pertaining to the publication "Radiationless Decay Spectrum of O 1s Double Core Holes in Liquid Water", published in J. Chem. Phys. 160, 194503 (2024).

The publication describes results on the Auger emission of double core hole states created by single photon photo-double-ionization, explored experimentally by liquid jet electron spectra and via simulations. Here we provide the underlying experimental data including metadata, ascii representations of the traces shown in the figures, and the coordinates used in the simulations.

Files with extension .h5 are hdf5-files structured according to the NeXus standard v2022.07, see
https://www.nexusformat.org/
https://fairmat-experimental.github.io/nexus-fairmat-proposal/50433d9039b3f33299bab338998acb5335cd8951/mpes-structure.html
NeXus data files can be opened with any software capable of opening hdf5-structured files. The following viewers are adapted to the specifics of the NeXus data format:
* nexpy (distributed with python)
* https://h5web.panosc.eu/h5wasm (web-based NeXus viewer maintained by the European Photon and Neutron Open Science Cloud-consortium)
Additionally, some properties of our liquid jet sample environment are described by extensions to standard NeXus explained in a notes-section in each file.

In each NeXus file-entry, two types of spectra are shown:
1. Sweep-averaged spectra, integrated over the non-dispersive coordinate of our detector ('data').
2. As-measured data ('raw').

Files with extension .txt or with extension .xyz are tab-separated or space-separated ascii-files. Files with extension .asc are comma-separated ascii-files. Files with extension .zip are compressed multi-file archives, MIME-type application/zip.

The following files are provided:

Contact person regarding this data set: Uwe Hergenhahn, uhe@fhi.mpg.de . If you use these data for your scientific work we kindly ask you to send us a copy or reference of your published results.