Mass spectrometry analysis using MALDIquant
arXiv:1607.03180
Abstract
MALDIquant and associated R packages provide a versatile and completely free open-source platform for analyzing 2D mass spectrometry data as generated for instance by MALDI and SELDI instruments. We first describe the various methods and algorithms available in MALDIquant . Subsequently, we illustrate a typical analysis workflow using MALDIquant by investigating an experimental cancer data set, starting from raw mass spectrometry measurements and ending at multivariate classification.
26 pages, 12 figures. This is the draft version of a chapter to be published in S. Datta and B. Mertens (eds). 2016. Statistical Analysis of Proteomics, Metabolomics, and Lipidomics Data Using Mass Spectrometry. Frontiers in Probability and the Statistical Sciences. Springer, New York