In the following Atlas, we provide for each metabolite, a screenshot of Fityk software, where the green dots are data from Sherman et al., 2020, red curves the q-Gaussian components, yellow curve the sum of components. In the lower part of the screenshot, the misfit is given (difference between data and yellow curve). Supplementary material is providing two folders containing the Fityk files name_metabolite.fit and name_metabolite-fingerprint.peaks.