R: United Formula Annotation (UFA) for HRMS Data Processing

# United Formula Annotation (UFA) for HRMS Data Processing

## Documentation for package ‘IDSL.UFA’ version 2.0

- DESCRIPTION file

## Help Pages

aggregatedIPdbListGenerator | aggregatedIPdbListGenerator
aligned_molecular_formula_annotator | Aligned Molecular Formula Annotator
detect_formula_sets | Organic Class Detection by Repeated Unit Patterns
element_sorter | Element Sorter
extendedSENIORrule | extended SENIOR rule check
formula_adduct_calculator | Formula Adduct Calculator
formula_vector_generator | Molecular Formula Vector Generator
hill_molecular_formula_printer | Print Hill Molecular Formula
identificationScoreCalculator | Multiplicative Identification Score for the IDSL.UFA pipeline
ionization_pathway_deconvoluter | Ionization Pathway Deconvoluter
isotopic_profile_calculator | Isotopic Profile Calculator
molecularFormula2IPdb | Molecular Formula to IPDB
molecular_formula_annotator | Molecular Formula Annotator
molecular_formula_elements_filter | molecular_formula_elements_filter
molecular_formula_library_generator | Molecular Formula Database Producer
molecular_formula_library_search | Molecular Formula Library Search
monoisotopicMassCalculator | Monoisotopic Mass Calculator
scoreCoefficientsEvaluation | Score Coefficient Evaluation
scoreCoefficientsOptimization | Coefficients Score Optimization
scoreCoefficientsReplicate | Zero Score Function
UFA_enumerated_chemical_space | IPDBs from UFA Enumerated Chemical Space (ECS) approach
UFA_enumerated_chemical_space_xlsxAnalyzer | IPDBs from UFA Enumerated Chemical Space (ECS) xlsx Analyzer
UFA_formula_source | IPDB from a Molecular Formulas Source
UFA_formula_source_xlsxAnalyzer | UFA Formula Source xlsxAnalyzer
UFA_IPdbMerger | UFA IPDB Merger
UFA_locate_regex | UFA Locate regex
UFA_PubChem_formula_extraction | UFA PubChem Formula Extraction
UFA_score_coefficients_corrector | Score Coefficients Corrector for MolecularFormulaAnnotationTable
UFA_score_function_optimization | UFA Score Coefficient Workflow
UFA_score_function_optimization_xlsxAnalyzer | UFA Score Optimization xlsx Analyzer
UFA_workflow | UFA Workflow
UFA_xlsxAnalyzer | UFA xlsx Analyzer