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Table 1 Evaluating fitness of parameter combinations based on parameter sensitivity analysis

From: xMSanalyzer: automated pipeline for improved feature detection and downstream analysis of large-scale, non-targeted metabolomics data

Parametera

Features

mPIDb

Sc = N-(30*mPID)

Sd = N-(100*mPID)

12, 0.5

1454

33.12

460.4

−1858

3,0.3

2350

39.75

1157.5

−1625

3,0.5

1940

34.72

898.4

−1532

3,0.8

1653

30.60

735

−1407

3,0.3 Ï… 3,0.5

2363

36.16

1278.2

−1253

3,0.3 Ï… 3,0.8

2384

35.69

1313.3

−1185

3,0.5 Ï… 3,0.8

2022

32.22

1055.4

−1200

3,0.3 Ï… 12,0.5

2310

36.59

1214.4

−1342

3,0.5 Ï… 12,0.5

2037

33.40

1035

−1303

3,0.8 Ï… 12,0.5

1816

30.37

904.9

−1221

  1. Data was taken from Column A of Sample Set 1. aOnly a subset of the results is shown in the table. bMedian PID (mPID) averaged over all features. cScoring function weighs more importance to number of features; dScoring function weighs more importance to quality of features.