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Fig. 4 | Journal of Cheminformatics

Fig. 4

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

Fig. 4

dataExplorer enables the user to explore the data and check for sources of experimental noise. This view allows the data to be colored according to any registered metadata. The visualizer also supports overlaying the original spectra to evaluate the effect of pre-processing, exemplified here for removal of the water signal and normalization by PQN to decrease concentration difference effects. The white traces in the bottom window represent the skyline and bottom-line (maximum and minimum intensity values respectively for each data point). Selecting a point (here at 7.89 ppm) will sort the samples in the table on the right according to the intensity for that variable, expediting the identification of samples with major concentration

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