Figure 7

Peak picking results in the m/z 636–646 mass range. Illustration of observed (top) and reconstructed (bottom) spectra. At m/z 636.64 and m/z 636.96 we observe incomplete unmixing: The isotope distribution (z=3) with monoisotopic mass m0 located at m/z 636.29 heavily overlaps the distribution (z=3) with m0 = 636.64 m/z (left triangle marker). The overlapproves inseparable and the monoisotopic mass of the second distribution is wrongly detected at m/z 636.96. Further, due to conservative noise level/complexity estimation, the isotope distribution located at m/z642.33 (right triangle marker) is not detected. Note that in both of the distributions located at m/z 636.29and m/z 639.65, the monoisotopic mass peak does not correspond to the most intensive peak.