MALDIquant: a versatile R package for the analysis of mass spectrometry data

摘要

Summary: MALDIquant is an R package providing a complete and modular analysispipeline for quantitative analysis of mass spectrometry data. MALDIquant isspecifically designed with application in clinical diagnostics in mind andimplements sophisticated routines for importing raw data, preprocessing,non-linear peak alignment, and calibration. It also handles technicalreplicates as well as spectra with unequal resolution. Availability: MALDIquant and its associated R packages readBrukerFlexData andreadMzXmlData are freely available from the R archive CRAN(http://cran.r-project.org). The software is distributed under the GNU GeneralPublic License (version 3 or later) and is accompanied by example files anddata. Additional documentation is available fromhttp://strimmerlab.org/software/maldiquant/.