UFA_enumerated_chemical_space_xlsxAnalyzer {IDSL.UFA} | R Documentation |
IPDBs from UFA Enumerated Chemical Space (ECS) xlsx Analyzer
Description
This function evaluates the molecular formula generation constraints in the spreadsheet to create the isotopic profile database.
Usage
UFA_enumerated_chemical_space_xlsxAnalyzer(spreadsheet)
Arguments
spreadsheet |
UFA spreadsheet |
[Package IDSL.UFA version 2.0 Index]