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Table 2 Comparison of scan averaging algorithms in Xcalibur and LipidXplorer

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

Intensity threshold 1% 0.5% 0.1%
Number of peaks 158.40 ± 23.57 237.62 ± 37.36 736.22 ± 128.71
Mass difference, ppm 0.06 ± 0.09 0.08 ± 0.09 0.30 ± 0.09
Intensity difference, % 0.61 ± 0.87 0.72 ± 0.86 3.00 ± 1.24
Spearman rank correlation 0.99 ± 0.02 0.98 ± 0.02 0.94 ± 0.03
Mismatched masses, % 1.45 ±1.44 2.37 ± 1.57 7.06 ± 2.36
  1. All values are average ± standard deviation.