Fig. 3From: Determining the parent and associated fragment formulae in mass spectrometry via the parent subformula graphThe mean PPV and TPR obtained for the fragment annotations, computed via constructing the PSG (denoted by “V”) and the NSG (denoted by “NL”) as a function of the mass deviation cutoff (\(\sigma _i\)), obtained by applying our method to all 622 compounds in the CASMI 2016 datasetBack to article page