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Prediction accuracy scatter plot for [Pep+2H]2+ ions modified with a Pal (empty squares) or an Am group (filled circles). Retrodictions are produced by a molecular weight fit for (a) Pal- and (b) Am-modified peptide ions (pentapeptides or longer). ISP retrodictions are displayed for these respective peptides in (c) and (d). Dotted lines indicate where the retrodicted values are within 2% of experimental values.
