Fig. 1: Implementation of the diagnostic feature mining algorithm.
From: Detecting diagnostic features in MS/MS spectra of post-translationally modified peptides
a Calculation of all possible diagnostic ions, peptide remainders, and fragment remainders, with the latter two calculated with respect to theoretical unmodified ions, for a synthetic Cys probe of mass 463 Da. Calculated features across spectra are subsequently pooled to find recurring features. Source data are provided as a Source Data file. b Workflow for diagnostic feature selection.
