update_database: Function used to update your database

In francescodc87/IPA: Integrated Probabilistic Annotation (IPA) method for mass spectrometry data

Function used to update your database

Description

This function updates the database according to new information

Usage

update_database(DB, all_adducts_matrix_POS, all_adducts_matrix_NEG, update,
  adducts, isotopes)

Arguments

DB	The database used in a dataframe format. It has to be organized in the same fashion of the one included with the package
all_adducts_matrix_POS	A matrix contains information about all possible adducts. Columns are: KEGG.id (e.g. 'C00002'), adduct (e.g. 'M+H'), RT (previously known retention time for the compound, NA if unknown), formula (e.g. C10H17N5O13P3), theoretical mz (e.g. 508.003570124), charge (e.g. 1) mono ('mono' if monoisotopical form, 'iso' otherwise)
all_adducts_matrix_NEG	A matrix contains information about all possible adducts. Columns are: KEGG.id (e.g. 'C00002'), adduct (e.g. 'M-H'), RT (previously known retention time for the compound, NA if unknown), formula (e.g. C10H17N5O13P3), theoretical mz (e.g. 508.003570124), charge (e.g. -1) mono ('mono' if monoisotopical form, 'iso' otherwise)
update	A dataframe containing the new information
adducts	A dataframe containing adducts information as the one included in the enviPat package
isotopes	A dataframe containing isotopes information as the one included in the enviPat package

Value

Updated database

Author(s)

Francesco Del Carratore [e-mail]

francescodc87/IPA documentation built on April 7, 2023, 4:27 a.m.