Peak Frequential Plots

Peak frequential plot for all the four dataset (see Section VIII.D of the paper). In each plot, the top subplot shows the absolute differences among the average spectra of each phenotype. The bottom subplot sets out the results of the multistart consensus approach. It shows the percentage of occurrence of each

position being selected throughout the whole process (occurrences below 5% are not shown, full PF plots are available under request).

**Figure:** Peak Frequential plot for the OVA multistart results
$\includegraphics[width=20cm]{results/Fig-OVA-PF.eps}$

**Figure:** Peak Frequential plot for the TOX multistart results
$\includegraphics[width=20cm]{results/Fig-TOX-PF.eps}$

**Figure:** Peak Frequential plot for the HCC multistart results
$\includegraphics[width=20cm]{results/Fig-HCC-PF.eps}$

**Figure:** Peak Frequential plot for the DGB multistart results
$\includegraphics[width=20cm]{results/Fig-DGB-PF.eps}$