Probing Aqueous Ions with Non-local Auger Relaxation - data

Data set pertaining to the article "Probing aqueous ions with non-local Auger relaxation" | Physical Chemistry Chemical Physics, 24, 8661-8671 (2022). doi: 10.1039/D2CP00227B.

Files with extension .h5 are hdf5-files structured according to the NeXus standard v2022.06, 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-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)

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').

The following files are provided:

Photoemission data pertaining to ICD measurements, and to 1s spectra shown in Supplementary Fig. S2 (Na, Al):
ICD_data.na.h5
ICD_data.mg.h5
ICD_data.al.h5
Photon energy corrections are applied as explained in the article and Supplementary Material, kinetic energy correction is applied to the dataset 'data'.

Calibration data:
calibration_data.p04.h5 : Mostly photon energy calibration for ICD spectra.
calibration_data.bessy.mg.h5 : Spectra measured at BESSY for MgCl2 Mg 1s binding energy calibration.
calibration_data.bessy.al.h5 : Spectra measured at BESSY for AlCl3 Al 1s binding energy calibration.
calibration_data.p04.add.h5 : Additional spectra for cross-checking binding energy calibration, measured at DESY P04.
All calibration spectra are included as-measured. A binding energy axis, shown for some spectra, is derived as implied from the uncalibrated photon and kinetic energies.

Contact: Uwe Hergenhahn, [e-mail] .

v2 release notes
A number of minor errors in the metadata and .hdf5-structure of the v1 dataset were corrected. The data themselves are unaffected.
* Names of NXdata-groups now agree to NXmpes naming-convention,
* incorrect value of photon energy correction of Al ICD data fixed (ICD_data.al.h5),
* proposal numbers added to metadata,
* measurements on pure water solution designated as calibration.