remove_redundancy: Remove Redundant Annotations in Metabolite Data

In tidymass/metpath: Pathway analysis for metabolomics data

Remove Redundant Annotations in Metabolite Data

Description

This function removes redundant metabolite annotations by filtering out low-confidence matches. It iteratively refines the annotation table based on score thresholds.

Usage

remove_redundancy(annotation_table)

Arguments

annotation_table

A data frame containing metabolite annotations, including 'Lab.ID', 'variable_id', and 'score' columns.

Details

The function follows these rules: - If a compound has an annotation with a score > 80, it removes annotations with scores ≤ 20. - If a peak has an annotation with a score > 80, it removes other annotations with scores ≤ 20. - Iterates until redundancy stabilizes, ensuring that lower-quality annotations are removed.

Value

A filtered version of the annotation table with reduced redundancy.

tidymass/metpath documentation built on June 1, 2025, 10:05 p.m.