MsFeatures

MsFeatures defines functionality for grouping Mass Spectrometry features based on properties such as retention time or correlation of signals across samples.

Key Features:

• Feature Grouping by Retention Time: Groups coeluting LC-MS features based on shared retention time properties.
• Feature Grouping by Signal Correlation: Groups features based on correlation of signals across samples.
• Modular Architecture: Enables combination of different grouping approaches and re-use in other R packages.
• Base Data Type Support: Defines concepts and functions for base and common data types, with extensibility for more specific data types in packages such as xcms.
• QFeatures Integration: Outputs can be used as input for the QFeatures package to aggregate abundance levels of features within each group.

Scientific Applications:

• LC-MS Feature Aggregation: Prepares grouped features for downstream abundance aggregation in quantitative proteomics and metabolomics workflows.
• Mass Spectrometry Data Preprocessing: Supports preprocessing steps for feature organization prior to quantitative analysis in R-based mass spectrometry pipelines.

Methodology:

MsFeatures implements grouping of LC-MS features based on retention time or correlation of signals across samples, with a modular architecture that allows combination of different grouping approaches.