From: Retrospective non-target analysis to support regulatory water monitoring: from masses of interest to recommendations via in silico workflows
High Metadata score
Low Metadata score
High Spectral score
Scenario 1: high MetFrag Score (> 6)
Scenario 3: moderate MetFrag Score (3–6)
Low Spectral score
Scenario 2: moderate MetFrag Score (3–6)
Scenario 4: low MetFrag Score (< 3)