MsExperiment

MsExperiment provides light-weight and flexible infrastructure to store and manage all aspects related to a complete proteomics or metabolomics mass spectrometry (MS) experiment.

Key Features:

• Flexible Container Architecture: Builds on the MS infrastructure provided by the Spectra, QFeatures and related packages to store raw data representations, links to original data files, and sample annotations.
• Metadata Storage: Additional metadata or annotations can be stored within the MsExperiment container alongside experimental data.
• Minimal Constraints: Only minimal constraints are put on the type and content of the data within the containers to guarantee maximum flexibility.

Scientific Applications:

• Proteomics MS Experiment Management: Stores and manages all aspects related to complete proteomics mass spectrometry experiments.
• Metabolomics MS Experiment Management: Stores and manages all aspects related to complete metabolomics mass spectrometry experiments.

Methodology:

The package builds on the MS infrastructure provided by the Spectra, QFeatures and related packages.