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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