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Table 3 Computational validation of the peak alignment algorithm

From: A novel informatics concept for high-throughput shotgun lipidomics based on the molecular fragmentation query language

Number of binning cycles

Average peak occupation

Average mass difference, ppm

1

0.65 ± 0.05

1.3 ± 0.8

2

0.87 ± 0.08

1.6 ± 0.7

3

0.97 ± 0.04

0.4 ± 0.4