IDSL.UFA
United Formula Annotation (UFA) for HRMS Data Processing

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IDSL.UFA: United Formula Annotation (UFA) for HRMS Data Processing
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Man pages for IDSL.UFA
United Formula Annotation (UFA) for HRMS Data Processing

aggregatedIPdbListGeneratoraggregatedIPdbListGenerator
aligned_molecular_formula_annotatorAligned Molecular Formula Annotator
detect_formula_setsOrganic Class Detection by Repeated Unit Patterns
element_sorterElement Sorter
extendedSENIORruleextended SENIOR rule check
formula_adduct_calculatorFormula Adduct Calculator
formula_vector_generatorMolecular Formula Vector Generator
hill_molecular_formula_printerPrint Hill Molecular Formula
identificationScoreCalculatorMultiplicative Identification Score for the IDSL.UFA pipeline
ionization_pathway_deconvoluterIonization Pathway Deconvoluter
isotopic_profile_calculatorIsotopic Profile Calculator
molecularFormula2IPdbMolecular Formula to IPDB
molecular_formula_annotatorMolecular Formula Annotator
molecular_formula_elements_filtermolecular_formula_elements_filter
molecular_formula_library_generatorMolecular Formula Database Producer
molecular_formula_library_searchMolecular Formula Library Search
monoisotopicMassCalculatorMonoisotopic Mass Calculator
scoreCoefficientsEvaluationScore Coefficient Evaluation
scoreCoefficientsOptimizationCoefficients Score Optimization
scoreCoefficientsReplicateZero Score Function
UFA_enumerated_chemical_spaceIPDBs from UFA Enumerated Chemical Space (ECS) approach
UFA_enumerated_chemical_space_xlsxAnalyzerIPDBs from UFA Enumerated Chemical Space (ECS) xlsx Analyzer
UFA_formula_sourceIPDB from a Molecular Formulas Source
UFA_formula_source_xlsxAnalyzerUFA Formula Source xlsxAnalyzer
UFA_IPdbMergerUFA IPDB Merger
UFA_locate_regexUFA Locate regex
UFA_PubChem_formula_extractionUFA PubChem Formula Extraction
UFA_score_coefficients_correctorScore Coefficients Corrector for...
UFA_score_function_optimizationUFA Score Coefficient Workflow
UFA_score_function_optimization_xlsxAnalyzerUFA Score Optimization xlsx Analyzer
UFA_workflowUFA Workflow
UFA_xlsxAnalyzerUFA xlsx Analyzer
IDSL.UFA documentation built on May 31, 2023, 6:21 p.m.

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