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Table 5 Contribution of Metadata to the results

From: Critical Assessment of Small Molecule Identification 2016: automated methods

 

RT

MoNA

Lowest CSID

Refs

Combined MS/MS

Combined MS/MS+RT+Refs

Combined MS/MS+RT+Refs+MoNA

Top 1

1

70

113

143

82

164

164

Top 3

5

87

158

177

126

183

187

Top 10

20

104

177

196

166

194

195

Mean rank

504.5

238.3

37.7

3.0

13.4

3.9

3.7

Median rank

135

10.25

1

1

2

1

1

Mean RRP

0.576

0.780

0.959

0.995

0.955

0.990

0.991

Median RRP

0.630

0.977

1

1

0.998

1

1

  1. The first four columns contain submissions formed using just one type of metadata, the “Combined MS/MS” column was formed by equally weighting all Category 2 entries from Table 2, while the last two columns combined this with retention time and references without and with MoNA, respectively
  2. The best value per statistic is marked in bold