rMSIproc: an R package for mass spectrometry imaging data processing

Bioinformatics. 2020 Jun 1;36(11):3618-3619. doi: 10.1093/bioinformatics/btaa142.

Abstract

Summary: 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.

Availability and implementation: rMSIproc is freely available at https://github.com/prafols/rMSIproc.

Contact: pere.rafols@urv.cat.

Supplementary information: Supplementary data are available at Bioinformatics online.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Algorithms*
  • Computer Systems
  • Mass Spectrometry
  • Software*
  • Workflow