rMSIproc

rMSIproc processes mass spectrometry imaging (MSI) data from time-of-flight (TOF) and Fourier transform (FT) mass spectrometers to convert raw spectral datasets into analyzable biochemical information.


Key Features:

  • Full Data Processing Workflow: Implements a complete workflow from raw spectral data to analyzable biochemical outputs for MSI experiments.
  • Spectral Alignment and Recalibration: Implements a spectral alignment and recalibration strategy that enables simultaneous processing of multiple datasets to improve consistency and mass accuracy.
  • Statistical Analysis Capability: Supports concurrent processing of multiple datasets from single or multiple experiments to enable robust statistical analyses.
  • Efficient Handling of Large Datasets: Manages and processes MSI datasets that can exceed computer memory capacity through memory-efficient data handling.
  • Multi-threading Strategy: Implements algorithms using a multi-threading strategy to optimize processing speed and resource utilization.

Scientific Applications:

  • Oncology: Enables detailed biochemical analysis of tissue sections to investigate disease mechanisms in cancer research.
  • Pharmacology: Supports analysis of drug distribution and tissue pharmacology by mapping compounds within tissue sections.
  • Neurobiology: Facilitates metabolic and biochemical mapping in neural tissues to study metabolic processes and molecular distributions.

Methodology:

Computational methods explicitly include a spectral alignment and recalibration strategy, support for simultaneous processing of multiple datasets, memory-efficient handling for datasets exceeding RAM, and algorithms implemented with a multi-threading strategy.

Topics

Details

Programming Languages:
R
Added:
1/18/2021
Last Updated:
2/7/2021

Operations

Publications

Ràfols P, Heijs B, del Castillo E, Yanes O, McDonnell LA, Brezmes J, Pérez-Taboada I, Vallejo M, García-Altares M, Correig X. rMSIproc: an R package for mass spectrometry imaging data processing. Bioinformatics. 2020;36(11):3618-3619. doi:10.1093/bioinformatics/btaa142. PMID:32108859.

PMID: 32108859
Funding: - Spanish Ministry of Economy and Competitiveness: BES-2013-065572, BFU2017-89336-R, TEC2015-69076-P - Spanish Ministry of Education, Culture and Sports: FPU 14/04457