Figure 3

Peak detection modules with previews. (A) Mass detection (centroiding) module. Recognized m/z peaks are shown in red. In the insets, details of a single m/z peak are shown, indicating the full width at half maximum approach to the m/z value calculation. (B) Fourier transform mass spectrometry shoulder peaks filter. In the preview panel, the main detected peak is indicated with the red line, while shoulder peaks are indicated with the yellow lines. (C) Peak deconvolution. Each individual recognized peak within the chromatogram is indicated by a different color. (D) Experimental peak shape modeler. A Gaussian peak model (pink) is fitted to the deconvoluted chromatographic peak's data points (blue).