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

2012; Oxford University Press; Volume: 28; Issue: 17 Linguagem: Inglês

10.1093/bioinformatics/bts447

ISSN

1367-4811

Autores

Sebastian Gibb, Korbinian Strimmer,

Tópico(s)

Isotope Analysis in Ecology

Resumo

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

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