JSM 2005 - Toronto

Abstract #304163

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Activity Number: 16
Type: Topic Contributed
Date/Time: Sunday, August 7, 2005 : 2:00 PM to 3:50 PM
Sponsor: Section on Bayesian Statistical Science
Abstract - #304163
Title: Calibration of Mass Spectra
Author(s): Cavan Reilly*+
Companies: University of Minnesota
Address: A460 Mayo Building MMC 303, Minneapolis, MN, 55455, United States
Keywords: proteomics ; functional data analysis ; curve registration
Abstract:

In clinical applications of mass spectrometry, there is frequently interest in characterizing the average mass spectrum of a patient population. A basic problem in this context is that there is variation between patients in the placement of spectral peaks along the mass/charge axis. As there is substantial variation between spectra from different patients in the same group, with different subjects displaying different sets of peaks, one cannot proceed by simply calibrating spectra using the locations of observed peaks. We develop a Bayesian framework for the analysis of mass spectra that allows for variation in the placement of peaks along the mass/charge axis and describes the measured intensity, given the calibration, as a mixture model. This model involves a nonlinear function to describe the average spectrum in each group and a nonlinear function for each subject that allows calibration of the different spectra. Straightforward MCMC is too computationally demanding, hence we provide an EM-type algorithm to assist in the search for posterior modes.

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Revised March 2005