How does Mg2+(aq.) interact with ATP(aq.)? Observations through the lens of liquid-jet photoelectron spectroscopy - data

Dataset pertaining to the manuscript "How does Mg2+(aq) interact with ATP(aq)? Observations through the lens of liquid-jet photoelectron spectroscopy", submitted to arxiv. Files with extension .h5 are hdf5-files structured according to the NeXus standard v2022.07, see<br> https://www.nexusformat.org/<br> https://fairmat-experimental.github.io/nexus-fairmat-proposal/50433d9039b3f33299bab338998acb5335cd8951/mpes-structure.html<br> 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:<br> * nexpy (distributed with python)<br> * 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:<br> 1. Sweep-averaged spectra, integrated over the non-dispersive coordinate of our detector ('data'). For ATP spectra, the ADP overview spectrum, and ADP/Mg2+ Mg 2s spectra, a binding energy correction shifting the liquid 1b1 feature to 11.33 eV is applied.<br> 2. As-measured data ('raw'). Files with extension .txt are comma-separated ascii-files. <br> The following files are provided: Photoemission data pertaining to adenosine phosphate PES measurements:<br> atp-mg.h5 - ATP photoemission spectra in the presence of Mg2+ cations in varying concentration<br> adp-mg.h5 - ADP photoemission spectra in the presence of Mg2+ cations in varying concentration<br> amp-mg.h5 - AMP photoemission spectra in the presence of Mg2+ cations (a single concentration)<br> atp-adp-amp.h5 - ATP, ADP, AMP photoemission without Mg admixture<br> mg-only.h5 - Mg 2s core level spectra without ATP<br> tham-only.h5 - VB band measured with only THAM (tris(hydroxymethyl)aminomethane), used as buffer for pH stabilization Numeric representations of the traces shown in the manuscript's figures:<br> Figure_2-data.txt<br> Figure_4a-Mg2p.txt<br> Figure_4a-Mg2s.txt<br> Figure_4a-Mgonly.txt<br> Figure_4a-P2p.txt<br> Figure_4a-P2s.txt<br> Figure_4b-ATP.txt<br> Figure_4b-Mg2ATP.txt<br> Figure_4b-MgATP.txt<br> Figure_7-data.txt<br> Figure_S2...txt<br> Figure_S4-data.txt Contact: Uwe Hergenhahn, [e-mail] .