BioNanoEL manuscript calculations and archived electrochemical analyses
Abstract
Version v2 extends this archive with inputs, scripts, numerical outputs and figures for archived EIS and porphyrin voltammetry/processed fluorescence analyses. The combined package contains the v0.2.2 source snapshot (commit f2b8fba12d908a7128aa96694d40aadd3d6fad29), molecular calculations and Figures 1–4; 75 EIS text exports and metadata workbook, mapping of five analysed spectra, full and withheld-frequency fits, a 300-trial synthetic RC benchmark, digitised Table 1 values and Figure 5; and 32 scan-rate workbooks, six processed ROI recordings, source audits, scripts and Figure 6. Reproduction instructions, dependencies, SHA-256 checksums and numerical checks are included. No institutional SharePoint access is required to rerun the supplied analyses. The original 12 software tests pass and headline numerical values were reproduced on 8 October 2026. The EIS holdout assesses within-spectrum interpolation, not independent samples; improved fits do not establish unique physical parameters. The porphyrin comparison is empirical. Original microscopy videos were not reanalysed or included. No new experimental measurements were generated. This dataset does not validate molecular ET rates, biological predictions, coherence or quantum capacitance. Software release: v0.2.2 DOI 10.5281/zenodo.22941432. Original software MIT licensing is retained. Source studies: Robinson et al. (2021), DOI 10.1021/acsomega.1c03547; Sanjuan-Alberte et al. (2019), DOI 10.1021/acsanm.9b01374.
