To annotate individual and aligned peak list from the IDSL.IPA with molecular formulas, IDSL.UFA need parameters in this excel sheet format. Then, run the below code.
library(IDSL.UFA)
UFA_workflow(spreadsheet = "name of the parameter excel file")
Code will generate following two new directories:
annotated_mf_tables: This has individual files with formula hits
aligned_molecular_formula_table: This provides an aggregation of molecular formula at the aligned table level
See an example output here: