How does Mg2+(aq.) interact with ATP(aq.)? Observations through the lens of liquid-jet photoelectron spectroscopy - data
Authors/Creators
- 1. Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany
- 2. Department of Chemistry, University of California, Berkeley, CA 94720, USA; Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA
- 3. Department of Physical Chemistry, University of Chemistry and Technology, Technická 5, Prague 6 16628, Czech Republic
- 4. Department of Chemistry, University of Department of Chemistry, University of California, Berkeley, CA 94720, USA; Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA
- 5. Department of Chemistry, University of Southern California, Los Angeles, CA 90089, USA
Description
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
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)
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'). 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.
2. As-measured data ('raw').
Files with extension .txt are comma-separated ascii-files.
The following files are provided:
Photoemission data pertaining to adenosine phosphate PES measurements:
atp-mg.h5 - ATP photoemission spectra in the presence of Mg2+ cations in varying concentration
adp-mg.h5 - ADP photoemission spectra in the presence of Mg2+ cations in varying concentration
amp-mg.h5 - AMP photoemission spectra in the presence of Mg2+ cations (a single concentration)
atp-adp-amp.h5 - ATP, ADP, AMP photoemission without Mg admixture
mg-only.h5 - Mg 2s core level spectra without ATP
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:
Figure_2-data.txt
Figure_4a-Mg2p.txt
Figure_4a-Mg2s.txt
Figure_4a-Mgonly.txt
Figure_4a-P2p.txt
Figure_4a-P2s.txt
Figure_4b-ATP.txt
Figure_4b-Mg2ATP.txt
Figure_4b-MgATP.txt
Figure_7-data.txt
Figure_S2...txt
Figure_S4-data.txt
Contact: Uwe Hergenhahn, uhe@fhi.mpg.de .
Notes
Files
Figure_2-data.txt
Files
(650.9 MB)
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Additional details
Related works
- Is cited by
- Preprint: arXiv:2306.05352 (arXiv)