United Formula Annotation (UFA) for HRMS Data Processing
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Documentation for package ‘IDSL.UFA’ version 2.0
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 |