Man pages for tidymass/metid
Metabolite identification based on MS1 and MS2 spectra

annotate_metabolites_mass_datasetIdentify metabolites based on MS1 or MS/MS database
annotate_single_peak_mass_datasetIdentify metabolites based on MS1 or MS/MS database for...
construct_databaseConstruct in-house or public MS2 database for metid.
construct_massbank_databaseConstruct public MS2 database from massbank with msp format.
construct_mona_databaseConstruct public MS2 database from MoNA with msp format.
correct_database_rtCorrect RTs of metabolites in database using internal...
databaseClass-classAn S4 class to represent MS1 or MS2 database.
filter_adductsFilter adducts.
filter_identificationFilter identifications according to m/z error, RT error, MS...
get_iden_infoGet identification information from a metIdentifyClass object
get_identification_tableGet identification table from a metIdentifyClass object
getIdentificationTable2Get identification table from a mzIdentifyClass object
get_identification_table_allget_identification_table_all
get_ms2_spectrumGet MS2 spectra of peaks from databaseClass object
getMS2spectrumGet MS2 spectra of peaks from databaseClass object
get_ms2_spectrum_from_objectGet spectra of peaks from metIdentifyClass object
get_parametersGet parameters from a metIdentifyClass object
get_parameters_metidGet parameters from a metIdentifyClass object
hilic.negHILIC negative mode adduct table
hilic.posHILIC positive mode adduct table
identify_metabolite_allIdentify metabolites using multiple databases one time
identify_metabolitesIdentify metabolites based on MS1 or MS/MS database
identify_metabolites_paramsGenerate the parameter list for identify_metabolites function
identify_ms2_onlyIdentify metabolites based on MS/MS database
identify_peakIdentify metabolites based on MS1 or MS/MS database
identify_single_peakIdentify single peak based on database.
metidShow the base information of metid pacakge
metid_conflictsConflicts between the metid and other packages
metIdentifyIdentify metabolites based on MS/MS database.
metIdentifyClass-classAn S4 class to represent annotation result.
metIdentify_mass_datasetIdentify metabolites based on MS/MS database.
metid_logoShow the base information of metid pacakge
metid_packagesList all packages in the metid
ms2plotGet MS2 match plots from a metIdentifyClass object
ms2_plot_mass_datasetIdentify metabolites based on MS1 or MS/MS database for...
msDatabase_hilic0.0.2Michael Snyder lab RPLC database 0.0.2
msDatabase_rplc0.0.2Michael Snyder lab RPLC database 0.0.2
mzIdentifyIdentify peaks based on MS1 database
mzIdentify_mass_datasetIdentify peaks based on MS1 database
mzIdentify_mass_dataset2Identify peaks based on MS1 database
mzIdentifyParamGenerate the mzIdentify parameter list
orbitrap_database0.0.3orbitrap_database0.0.3
readMGFreadMGF
read_mgf_experimentread_mgf_experiment
read_mgf_gnpsread_mgf_gnps
read_mgf_monaread_mgf_mona
read_mspread_msp
readMSPreadMSP
read_msp_databaseread_msp_database
read_msp_gnpsread_msp_gnps
read_msp_monaread_msp_mona
readMSP_MoNAreadMSP_MoNA
readMZXMLreadMZXML
reexportsObjects exported from other packages
rp.negReverse phase negative mode adduct table
rp.posReverse phase positive mode adduct table
snyder_database_hilic0.0.3Michael Snyder lab RPLC database
snyder_database_rplc0.0.3Michael Snyder lab RPLC database
summary_annotation_tableSummary the annotation table
summary-databaseClasscolnames
trans_to_new_styleTransform old style identification table to new style
which_has_identificationGet the peak names which have identifications
write_mgf_gnpsExport metid database to mgf (gnps format)
write_mgf_massbankExport metid database to mgf (MassBank format)
write_mgf_monaExport metid database to mgf (mona format)
write_msp_gnpsExport metid database to msp (gnps format)
write_msp_massbankExport metid database to msp (MassBank format)
write_msp_monaExport metid database to msp (mona format)
tidymass/metid documentation built on Nov. 22, 2022, 6:31 p.m.