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rMSIproc: an R package for mass spectrometry imaging data processing
Author(s) -
Pere Ràfols,
Bram Heijs,
Esteban del Castillo,
Óscar Yanes,
Liam A. McDonnell,
J. Brezmes,
Iara PérezTaboada,
Mario Vallejo,
María GarcíaAltares,
Xavier Correig
Publication year - 2020
Publication title -
bioinformatics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 3.599
H-Index - 390
eISSN - 1367-4811
pISSN - 1367-4803
DOI - 10.1093/bioinformatics/btaa142
Subject(s) - computer science , workflow , mass spectrometry imaging , process (computing) , r package , software , data mining , source code , data processing , mass spectrometry , computational science , database , programming language , physics , quantum mechanics
Mass spectrometry imaging (MSI) can reveal biochemical information directly from a tissue section. MSI generates a large quantity of complex spectral data which is still challenging to translate into relevant biochemical information. Here, we present rMSIproc, an open-source R package that implements a full data processing workflow for MSI experiments performed using TOF or FT-based mass spectrometers. The package provides a novel strategy for spectral alignment and recalibration, which allows to process multiple datasets simultaneously. This enables to perform a confident statistical analysis with multiple datasets from one or several experiments. rMSIproc is designed to work with files larger than the computer memory capacity and the algorithms are implemented using a multi-threading strategy. rMSIproc is a powerful tool able to take full advantage of modern computer systems to completely develop the whole MSI potential.

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