Figure 3
From: Enhancing metabolomic data analysis with Progressive Consensus Alignment of NMR Spectra (PCANS)
Accuracy of Alignment with Simulated Peak Profiles. The x-axis indicates ± range of chemical shift variation and the y-axis indicates proportion of peaks per profile that experienced chemical shift variation. The graph depicts accuracy as indicated by the colorbar on the right, where PCANS achieved accuracies between 98.4% and 88.5%. Besides chemical shift position, both relative intensity and width were randomly perturbed by ± 10% of the origin for 25% of the peaks within each profile and 50% of the profiles had 1-4 noise peaks randomly added.