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Fig. 4 | Journal of Cheminformatics

Fig. 4

From: patRoon: open source software platform for environmental mass spectrometry based non-target screening

Fig. 4

Interface for the patRoon workflow. The workflow steps are performed by a set of functions that execute the selected algorithm and return the data in a harmonized format by utilizing the ‘S4’ object oriented programming approach of R. These objects all derive from a common base class and may be further sub-classed in algorithm specific classes (as is exemplified for features). Generic functions are defined for all workflow classes to implement further data processing functionality in a predictable and algorithm independent manner (see also Table 3). Further information is provided in the reference manual [85, 86]

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