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Fig. 5 | Journal of Cheminformatics

Fig. 5

From: HastaLaVista, a web-based user interface for NMR-based untargeted metabolic profiling analysis in biomedical sciences: towards a new publication standard

Fig. 5

The dataExplorer 1.1 view. The main goal, here, is to understand why a sample deviates by looking back at the data. Superimposing regular data on top makes easier to spot differences. A lasso tool permits selecting scores and displaying their spectra. Outliers selected at the top of the score plot (large green circles) exhibits the highest concentrations in Trimethylamine-N-oxide in rats 8 weeks following bariatric surgery

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