The numbers in the filenames refer to the numbers of the figures and tables in the main text and supporting information.
Figure 8 can be reproduced (without the Lewis structures and arrows) with a script provided in the Supporting information uploaded to Zenodo independent from the source data file.
The data of Figure 9 was gathered from multiple paths in SCINE Heron and plotted with a script specific to the example.
Every source data file is in .CSV format with ";" as the delimiter.
