TY - JOUR AU - Yates, John R AB - Quantitative shotgun proteomic analyses are facilitated using chemical tags such as ICAT and metabolic labeling strategies with stable isotopes. The rapid high-throughput production of quantitative "shotgun" proteomic data necessitates the development of software to automatically convert mass spectrometry-derived data of peptides into relative protein abundances. We describe a computer program called RelEx, which uses a least-squares regression for the calculation of the peptide ion current ratios from the mass spectrometry-derived ion chromatograms. RelEx is tolerant of poor signal-to-noise data and can automatically discard nonusable chromatograms and outlier ratios. We apply a simple correction for systematic errors that improves the accuracy of the quantitative measurement by 32 +/- 4%. Our automated approach was validated using labeled mixtures composed of known molar ratios and demonstrated in a real sample by measuring the effect of osmotic stress on protein expression in Saccharomyces cerevisiae. TI - A correlation algorithm for the automated quantitative analysis of shotgun proteomics data. JF - Analytical Chemistry DO - 10.1021/ac034790h DA - 2004-11-24 UR - https://www.deepdyve.com/lp/pubmed/a-correlation-algorithm-for-the-automated-quantitative-analysis-of-1u3CxQCN3V SP - 6912 EP - 21 VL - 75 IS - 24 DP - DeepDyve ER -