Function reference • assignments

S4 classes

Assignment-class: Assignment

AssignmentParameters-class: S4 class for assignment parameters

assignment(): Create an Assignment S4 class object

Example data

feature_data: Example feature data

Parameters

availableTechniques(): Available analytical techniques

assignmentParameters(): Assignment parameters

technique() correlationsParameters() `correlationsParameters<-`() limit() `limit<-`() maxM() `maxM<-`() MFrankThreshold() `MFrankThreshold<-`() ppm() `ppm<-`() isotopes() `isotopes<-`() adducts() `adducts<-`() transformations() `transformations<-`() adductRules() `adductRules<-`() isotopeRules() `isotopeRules<-`() transformationRules() `transformationRules<-`(): Parameter get and set methods

Assignment

assignMFs(): Perform molecular formula assignment

calcCorrelations() addIsoAssign() transformationAssign() calcRelationships(): Molecular formula assignment methods

Results

featureData() correlations() relationships() iterations() graph() components() featureComponents() component() assignments() assignedData() summariseAssignments(): Assignment accessors

Plotting

plotAdductDist() plotComponent() plotFeatureComponents() plotSpectrum(): Plot assignment results

Other

nodes() edges(): Extract graph attributes