feature-metadata-extraction-from-clustering-objects - Extract spectral metadata from RAMClustR clustering objects.
Extracts m/z, intensity pairs, retention time, and molecular weight annotations from RAMClustR objects for downstream spectral format conversion.
Tags
Updated: 2026-09-18Capabilities
Typical Inputs
Typical Outputs
What this skill does
- Extract spectral metadata from RAMClustR objects
- Verify retention time cluster consistency
- Map metadata to target software schemas
- Validate cluster representation completeness
Inputs
- RAMClustR object after do.findmain execution
- Feature abundance matrix (RC$SpecAbund)
- Feature retention times (RC$frt)
- Feature m/z values (RC$mz)
- Cluster annotations and molecular weights (RC$ann)
- Feature-to-cluster mapping (RC$featclus)
Outputs
- Extracted spectral metadata table
- Cluster-level retention time and molecular weight annotations
- Intermediate spectral data structure
Requirements
- R runtime environment
- RAMClustR package
- Completed XCMS feature detection and alignment
- Completed do.findmain molecular weight inference