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Table 2 Major rule-based filtering functionality implemented in patRoon

From: patRoon: open source software platform for environmental mass spectrometry based non-target screening

Filter functionality Features Feature groups MS peak lists Formulae Compounds Components
Intensity threshold X X X    
Feature propertiesa X X     
Max intensity deviation across replicates   X     
Minimum intensity above blank   X     
Minimum size or abundance   X     X
Top most abundant/highest scoring    X X X  
Minimum scoring     X X  
Annotationb     X X X
Organic matter rulesc     X   
  1. aRetention time, chromatographic peak width, m/z and mass defect range
  2. be.g. adducts, isotopologues, formula composition, neutral loss
  3. cexpected formula composition based on [68,69,70,71]