Analysis of MALDI FT-ICR mass spectrometry data: A time series approach |
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Authors: | Donald A Barkauskas Scott R Kronewitter David M Rocke |
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Institution: | a Children’s Oncology Group, 440 E. Huntington Drive Suite 402, Arcadia, CA, 91006, USA b Department of Chemistry, University of California, Davis, CA, 95616, USA c Division of Biostatistics, School of Medicine, University of California, Davis, CA, 95616, USA |
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Abstract: | Matrix-assisted laser desorption/ionization Fourier transform ion cyclotron resonance mass spectrometry is a technique for high mass-resolution analysis of substances that is rapidly gaining popularity as an analytic tool. Extracting signal from the background noise, however, poses significant challenges. In this article, we model the noise part of a spectrum as an autoregressive, moving average (ARMA) time series with innovations given by a generalized gamma distribution with varying scale parameter but constant shape parameter and exponent. This enables us to classify peaks found in actual spectra as either noise or signal using a reasonable criterion that outperforms a standard threshold criterion. |
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Keywords: | Fourier transform ion cyclotron resonance Generalized gamma distribution Matrix-assisted laser desorption/ionization |
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