Evaluating Reproducibility and Similarity of Mass and Intensity Data in Complex Spectra-Applications to Tubulin

Matthew T. Olson, Paul S. Blank, Dan L. Sackett, Alfred L. Yergey

Research output: Contribution to journalArticlepeer-review

Abstract

We present a data processing approach based on the spectral dot product for evaluating spectral similarity and reproducibility. The method introduces 95% confidence intervals on the spectral dot product to evaluate the strength of spectral correlation; it is the only calculation described to date that accounts for both the non-normal sampling distribution of the dot product and the number of peaks the spectra have in common. These measures of spectral similarity allow for the recursive generation of a consensus spectrum, which incorporates the most consistent features from statistically similar replicate spectra. Taking the spectral dot product and 95% confidence intervals between consensus spectra from different samples yields the similarity between these samples. Applying the data analysis scheme to replicates of brain tubulin CNBr peptides enables a robust comparison of tubulin isotype expression and post-translational modification patterns in rat and cow brains.

Original languageEnglish (US)
Pages (from-to)367-374
Number of pages8
JournalJournal of the American Society for Mass Spectrometry
Volume19
Issue number3
DOIs
StatePublished - Mar 2008

ASJC Scopus subject areas

  • Structural Biology
  • Spectroscopy

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