title: Evaluating reproducibility and similarity of mass and intensity data in complex spectra--applications to tubulin.
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.
authors.affiliation: Laboratory of Cellular and Molecular Biophysics, National Institute of Child Health and Human Development, NIH, Bethesda, Maryland 20892, USA.
authors.forename: Matthew T
authors.initials: MT
authors.lastname: Olson
authors.forename: Paul S
authors.initials: PS
authors.lastname: Blank
authors.forename: Dan L
authors.initials: DL
authors.lastname: Sackett
authors.forename: Alfred L
authors.initials: AL
authors.lastname: Yergey
mesh_terms: D000818:Animals; D001923:Brain Chemistry; D002417:Cattle; D016001:Confidence Intervals; D003488:Cyanogen Bromide / Q000737:chemistry; D003627:Data Interpretation, Statistical; D001330:Electronic Data Processing / Q000379:methods; D008297:Male; D010455:Peptides / Q000737:chemistry; D020033:Protein Isoforms / Q000032:analysis / Q000737:chemistry; D011499:Protein Processing, Post-Translational; D051381:Rats; D015203:Reproducibility of Results; D019032:Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization / Q000379:methods* / Q000706:statistics & numerical data; D013737:Testis / Q000737:chemistry; D014404:Tubulin / Q000032:analysis* / Q000737:chemistry
chemical_list: D010455:Peptides; D020033:Protein Isoforms; D014404:Tubulin; D003488:Cyanogen Bromide