UFA_enumerated_chemical_space {IDSL.UFA}

IPDBs from UFA Enumerated Chemical Space (ECS) approach

Description

This function produces the isotopic profile database using the UFA enumerated chemical space (ECS) approach.

Usage

UFA_enumerated_chemical_space(PARAM_ECS)

Arguments

PARAM_ECS

A dataframe of the molecular formula constraints in the UFA spreadsheet