Skip to main content

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.