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Figure 5 | BMC Bioinformatics

Figure 5

From: MetaboMiner – semi-automated identification of metabolites from 2D NMR spectra of complex biofluids

Figure 5

Comparative performance of different search strategies. Synthetic mixture query spectra were generated by pooling the peaks of 50 randomly selected compounds from MetaboMiner's reference spectral library. Different levels of spectral noise were added to these peaks and then compounds were identified with (*) and without using the adaptive threshold method. The Figure 5A, the query peaks were deleted at random with 0%, 10%, 20%, 30%, 40% and 50% probabilities; Figure 5B, the query peaks were subject to five levels of random chemical shift variations (± 0.01, ± 0.02, ± 0.03, ± 0.04, ± 0.05 ppm for each 1H chemical shift, and ± 0.05, ± 0.10, ± 0.15, ± 0.20, ± 0.25 ppm for each 13C chemical shift). The F scores were averaged over 50 iterations. (Abbreviations: PM, percentage match method; MS, minimal signature method).

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