With sets workflows in patRoon a complete non-target (or suspect) screening workflow is performed with sample analyses that were measured with different MS methods (typically positive and negative ionization).
The analyses files that were measured with a different method are grouped in sets. In the most typical case,
there is a "positive" and "negative" set, for the positively/negatively ionized data, respectively.
However, other distinctions than polarity are also possible (although currently the chromatographic method should be
the same between sets). A sets workflow is typically initiated with the makeSet method. The handbook
contains much more details about sets workflows.
makeSet to initiate sets workflows, workflowStepSet, the Sets workflows
sections in other documentation pages and the patRoon handbook.