mzMatch

mzMatch processes LC/MS metabolomics data by providing modular tools for filtering, annotating, and exchanging mass spectrometry results in PeakML to support downstream analysis and integration with tools such as XCMS.

Key Features:

• Modular Design: Composed of small, specialized tools that address common LC/MS data processing tasks.
• PeakML Format Integration: Uses the PeakML format to exchange processed intermediary and result data and to provide uniform access to raw and processed mass spectrometry data, enabling integration with software such as XCMS.
• Flexible Data Processing Pipeline: Provides a customizable pipeline supporting stages including filtering and annotating mass spectra.
• Data Visualization with PeakML Viewer: Provides visualization of processed data, including summarized results and full mass trace information for verification of analytical outcomes.

Scientific Applications:

• Metabolomics Research: Facilitates analysis of high-resolution LC/MS metabolomics datasets requiring filtering, annotation, and result exchange.
• Software Interoperability: Enables interoperability between mass spectrometry tools by exchanging data in PeakML and integrating with packages such as XCMS.

Methodology:

Composed of modular tools; uses PeakML for exchanging processed intermediary and result data; supports pipeline stages including filtering and annotating mass spectra; provides access to summarized results and full mass trace information and integrates with XCMS.