proFIA

proFIA processes raw Flow Injection Analysis–High-Resolution Mass Spectrometry (FIA-HRMS) data to perform preprocessing and generate peak tables for high-throughput metabolomics.

Key Features:

• Raw FIA-HRMS preprocessing: Implements preprocessing methods specifically for Flow Injection Analysis–High-Resolution Mass Spectrometry datasets.
• Peak table generation: Extracts mass spectral features and generates peak tables for downstream metabolomics analysis.
• File format support: Reads netCDF, mzData, mzXML, and mzML mass spectrometry raw data formats.
• High-throughput processing: Designed for rapid processing of FIA-HRMS datasets in high-throughput metabolomics studies.
• FIA-specific algorithms: Applies methods tailored to the absence of chromatographic separation in FIA data rather than liquid chromatography data.
• Workflow interoperability: Produces outputs suitable for integration into existing metabolomics analysis pipelines.

Scientific Applications:

• High-throughput metabolomics: Enables preprocessing of FIA-HRMS data to support large-scale metabolomic profiling studies.
• Metabolomic feature extraction: Produces peak tables to facilitate downstream statistical analysis and compound identification workflows.

Methodology:

Reads netCDF, mzData, mzXML, and mzML FIA-HRMS raw files and applies FIA-specific preprocessing to extract mass spectral features and generate peak tables.