United Formula Annotation (UFA) for HRMS Data Processing


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Documentation for package ‘IDSL.UFA’ version 1.1

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aligned_molecular_formula_annotator Aligned Molecular Formula Annotator
detect_formula_sets Organic Class Detection by Repeated Unit Patterns
element_sorter Element Sorter
extended_SENIOR_rule_check 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
identification_score Multiplicative Identification Score for the IDSL.UFA pipeline
ionization_pathway_deconvoluter Ionization Pathway Deconvoluter
isotopic_profile_calculator Isotopic Profile Calculator
isotopic_profile_molecular_formula_feeder Isotopic Profile Molecular Formula Feeder
IUPAC_Isotopes IUPAC Isotopes
molecular_formulas_source_IPDB IPDB from a Molecular Formulas Source
molecular_formula_annotator Molecular Formula Annotator
molecular_formula_library_generator Molecular Formula Database Producer
molecular_formula_library_search Molecular Formula Library Search
monoisotopic_mass_calculator Monoisotopic Mass Calculator
score_coefficients_optimization Coefficients Score Optimization
score_coefficient_evaluation Score Coefficient Evaluation
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_locate_regex UFA Locate regex
UFA_profile_visualizer UFA Profile Visualizer
UFA_profile_visualizer_xlsxAnalyzer UFA Spectra Analysis xlsxAnalyzer
UFA_score_coefficient_corrector Score Coefficient Corrector for MolecularFormulaAnnotationTable
UFA_score_coefficient_workflow UFA Score Coefficient Workflow
UFA_score_function_optimization_xlsxAnalyzer UFA Score Optimization xlsx Analyzer
UFA_workflow UFA Workflow
UFA_xlsxAnalyzer UFA xlsx Analyzer
zero_score_function Zero Score Function