Package index • masstools

All functions
`calculate_mass()`	Calculate Mass of a Chemical Formula
`check_adduct_formula()`	Validate if a given adduct formula is correct
`check_chemical_element()`	Validate if a given chemical element symbol is valid
`check_chemical_formula()`	Validate if a given chemical formula is a standard valid formula
`classyfire`	S4 Class Representation for ClassyFire Result
`convert_metabolite_id()`	Convert Metabolite Identifiers Between Different Databases
`convert_metabolite_id_chemspider()`	Convert Metabolite Identifiers Using ChemSpider
`convert_metabolite_id_oliver()`	Convert Metabolite Identifiers Using CTS FiehnLab
`convert_metabolite_id_openai()`	Convert Metabolite Identifiers Using OpenAI API
`convert_precursor_mz2accurate_mass()`	Convert Precursor m/z to Accurate Mass
`getDP()`	Compute Dot Product Between Two Intensity Vectors
`getSpectraMatchScore()`	Compute Similarity Score Between Two Mass Spectra
`get_compound_class()`	Retrieve Compound Classification Information
`get_dp()`	Compute Weighted Dot Product Between Two Intensity Vectors
`get_os()`	Determine the Operating System of the Current R Session
`get_spectra_match_score()`	Compute Similarity Score Between Two Mass Spectra
`keep_one()`	keep_one
`masstools_conflicts()`	Conflicts between the masstools and other packages
`masstools_logo()`	Masstools Logo Printer
`masstools_packages()`	List all packages in the masstools
`ms2Match()`	Match Fragments in Experimental and Library Spectra
`ms2_match()`	Match Fragments in Experimental and Library Spectra
`ms2_plot()`	Plot MS2 Spectra Comparisons
`mz_rt_match()`	mz_rt_match
`name_duplicated()`	Handle Duplicated Names by Appending Sequence Number
`parse_chemical_formula()`	Parse a Chemical Formula into its Constituent Elements and Counts
`read_mgf()`	Read and Process MGF Files
`read_mgf4database()`	Read and Process MGF Files for Database Analysis
`read_mzxml()`	Read and Process mzXML Files
`removeNoise()`	Remove Noisy Fragments from a Spectrum
`remove_noise()`	Remove Noisy Fragments from a Spectrum
`request_chemspider_metabolite()`	Retrieve Metabolite Information from ChemSpider
`request_metabolite_id_systems()`	Retrieve Supported Metabolite Identifier Conversion Systems
`show(<classyfire>)`	Display Method for 'classyfire' Objects
`show_progresser()`	show_progresser
`split_formula()`	Split Chemical Formula
`sum_formula()`	Summation of Chemical Formulas with Adducts
`trans_ID()`	Convert Chemical Identifier Between Different Databases

Reference

All functions