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Table 2 MetFrag scoring terms and weights used in tentative identification

From: Retrospective non-target analysis to support regulatory water monitoring: from masses of interest to recommendations via in silico workflows

MetFrag scoring terms Weights
Spectral terms
 FragmenterScore 1.0
 OfflineMetFusion 1.0
 OfflineIndivMoNA 1.0
 Total contribution to MetFrag Score: 3.0
Metadata terms
 CPDAT_COUNT 1.0
 DATA_SOURCES 1.0
 KEMIMARKET_EXPO 1.0
 KEMIMARKET_HAZ 1.0
 NORMANSUSDAT 0.5*
 REACH2017 0.5*
 INDACT 1.0
Total contribution to MetFrag Score: 6.0
Maximum MetFrag Score
Total 9.0
  1. An asterisk (*) indicates these terms were given lower weights to avoid overweighting due to possible redundancy across the databases