Electron bifurcation arises from emergent features of multicofactor enzymes - raw data

Raw data collected within the NCN OPUS25 project no. 2023/49/B/NZ1/02110.
This dataset was used in the article "Electron bifurcation arises from emergent features of multicofactor enzymes". It includes raw, unprocessed EPR spectra in native Bruker Elexsys format, as well as results of quantum mechanical (QM) calculations. The QM data comprise Cartesian coordinates of optimized structures, population analyses, and HOMO, LUMO orbitals information, all provided in plain text format.