The quantification spectra on the pages of the result file show the isotope pattern used for quantifying the peptides. The algorithm used in precursor ion quantification finds isotope patterns by identifying target components—that is, known elemental compositions from event lists. It identifies the peptides and searches in the event lists for the isotope patterns of these identified peptides. After peptide identification, the algorithm follows the steps shown in the following figure to identify the isotope patterns.

Identifying isotope patterns
Identified peptideCalculate elemental composition.Read events (RT range around peptide RT).Event listEvent list viewSimulated isotope patternFind most suited monoisotopic event.Event candidates for isotope patternIdentified isotope patternFind optimal pattern events that minimize the error in m/z, intensity, and centroid RT.Collect all event candidates that deviate from the monoisotopic event or theoretical pattern by m/z, intensity, or a centroid retention time less than three times the standard deviation.Simulate theoretical isotope pattern.