Skip to main content


Figure 6 | BMC Bioinformatics

Figure 6

From: MetaboHunter: an automatic approach for identification of metabolites from 1H-NMR spectra of complex mixtures

Figure 6

Comparative performance of metabolite matching strategies applied on synthetic mixtures with chemical shift variations. Synthetic mixture spectra were obtained by pooling peaks from 50 randomly selected metabolites from the two reference libraries (HMDB and MMCD). Spectral noise was introduced by adding/subtracting a chemical shift variation from 0 ppm to ± 0.05 ppm in equal increments of 0.01. The percentage of correctly identified metabolites was averaged over 50 iterations.

Back to article page