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Table 2 Performance comparison of pre-processing analysis using Tagfinder, XCMS and TargetSearch.

From: TargetSearch - a Bioconductor package for the efficient preprocessing of GC-MS metabolite profiling data

 

Tagfinder

XCMS

TargetSearch

Maximum number of samples

70

645

> 1025

Pre-processing step:

   

Peak extraction

3442

3634

2779

Peak import

271

-

-

RI correction

255

29

-

Profile building

3050

1740

195

Total time

7018

5403

2974

Total time per sample

35.1

27.0

14.9

  1. All parameters were set to default in order to obtain the maximum number of samples, but only 1025 samples were available. Times were compared using 200 samples. Before running this analysis, Tagfinder intensity threshold was set to 200 to allow the 200 samples to be imported. Time is expressed in seconds. Peak import is not necessary in XCMS and TargetSearch. RI correction is performed together with Peak extraction in TargetSearch.