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Table 7 Summary of the feature consensus demonstration results. Workflow details can be found in Additional file 6

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

 

Algorithma

Consensus

OpenMS

XCMS

enviPick

Combined

Full overlap

Features

57,113

32,078

11,431

  

Feature groups (un-filtered)

19,970

11,166

2809

  

Feature groups

678 (95)

801 (238)

836 (208)

1243

370

 With formulas

521 (75)

614 (169)

656 (168)

955

291

 With compoundsb

251 (33)

291 (68)

298 (62)

440

159

Detected suspects

17 of 18

17 of 18

17 of 18

17 of 18

17 of 18

  1. aItalic values in parentheses are unique to the algorithm
  2. bUsing the EPA CompTox database