The 127.646 peptide isotope distributions consisting out of 2 or more peaks were compared to their theoretical isotope distributions using BRAIN by calculating the spectral angle. A similar distribution of spectral angles in both samples was observed with a median spectral angle of 0,101 in sample A11-12042 and 0,0992 in sample A11-12043 (Figure 3). A non-parametric 95% median percentile interval was constructed for both samples using 10.000 iterations with seed “1234”. Sample A11-12042 had a slightly higher 95% median percentile interval of [0,1001468;0,1019028] compared to sample A11-12043 [0,0982923;0,1000837]. The complete benchmark dataset consists out of 965 unique combinations of peptide sequences, PTMs and charge states.