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This report has been generated using the ASpecD framework. If you use it in your research, please cite ASpecD (publication: J. Popp, T. Biskup, \emph{Chemistry Methods} 2:e202100097, 2022, doi:\href{https://doi.org/10.1002/cmtd.202100097}{10.1002/cmtd.202100097}; package: doi:\href{https://doi.org/10.5281/zenodo.4717937}{10.5281/zenodo.4717937}, details: \url{https://docs.aspecd.de/}) and the other packages accordingly.

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