cosmiq

cosmiq generates master m/z/RT maps from LCMS and GCMS runs to improve detection and quantification of low-abundance metabolites and lipids.

Key Features:

• Master Map Generation: Generates comprehensive master maps of the m/z/RT space by aggregating data from all acquired LCMS and GCMS runs prior to peak detection.
• Robust Signal Identification: Integrates signals across multiple runs to improve identification and quantification of low-intensity mass spectrometry (MS) features compared with per-file processing.
• Integration with xcms: Operates on the xcmsSet object structure and is compatible with the R package xcms for downstream workflows.

Scientific Applications:

• Metabolomics: Enables more sensitive detection and quantification of small-molecule metabolites in LCMS/GCMS metabolomic studies.
• Lipidomics: Facilitates detection and quantification of low-abundance lipid species in lipidomic analyses.

Methodology:

Generates master m/z/RT maps by aggregating all acquired runs prior to applying peak detection algorithms and represents data using the xcmsSet object structure.