The list of identified metabolites in a given experiment
idList(object, id.database = mslib)# S4 method for MetaboSet
idList(object, id.database = mslib)
idList returns an S3 object:
The unique Tag for found metabolite by eRah. Each metabolite found by eRah for a given experiment has an unique AlignID tag number.
The mean compound retention time.
the name of the Xst/nd/rd... hit. idList return as many X (hits) as n.putative selected with identifyComp.
The number of samples in which the compound has been detected (the number of samples where the compound area is non-zero).
The match factor/score of spectral similarity (spectral correlation).
The identification number of the library. Each metbolite in the reference library has a different DB.Id number.
the CAS number of each identified metabolite.
A 'MetaboSet' S4 object containing the experiment data. The experiment has to be previously deconvolved, aligned and identified.
The mass-spectra library to be compared with the empirical spectra. By default, the MassBank - Mass Bank of North America (MoNa) database are employed (mslib object).
Returns an identification table containing the names, match scores, and other variables for a given experiment.
alignList dataList