All functions

classyfire

S4 Class Representation for ClassyFire Result

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_mass()

Calculate Mass of a Chemical Formula

get_os()

Determine the Operating System of the Current R Session

get_project_wd()

Retrieve Project Working Directory

get_spectra_match_score()

Compute Similarity Score Between Two Mass Spectra

install_fastgit()

install_fastgit

is_valid_chemical_formula()

Check Validity of a Chemical Formula

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

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

trans_id_database()

Retrieve Supported Databases for Chemical Identifier Conversion