Assignment

An S4 class to store molecular formula assignment results.

Slots

log

a list containing assignment logs

data

a tibble containing the m/z peak intensity matrix

correlations

a tibble containing the correlations analysis results

relationships

a tibble containing the calculated mathematical relationships

addIsoAssign

a list containing the results of the adduct and isotope assignment iterations

transAssign

a list containing the results of the transformation assignment iterationst

assignments

a tibble containing the assigned molecular formulas