The list of identified metabolites in a given experiment
Usage
idList(object, id.database = mslib)
# S4 method for MetaboSet
idList(object, id.database = mslib)Arguments
- object
A 'MetaboSet' S4 object containing the experiment data. The experiment has to be previously deconvolved, aligned and identified.
- id.database
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).
Value
idList returns an S3 object:
- AlignID
The unique Tag for found metabolite by eRah. Each metabolite found by eRah for a given experiment has an unique AlignID tag number.
- tmean
The mean compound retention time.
- Name.X
the name of the Xst/nd/rd... hit. idList return as many X (hits) as n.putative selected with
identifyComp.- FoundIn
The number of samples in which the compound has been detected (the number of samples where the compound area is non-zero).
- MatchFactor.X
The match factor/score of spectral similarity (spectral correlation).
- DB.Id.X
The identification number of the library. Each metbolite in the reference library has a different DB.Id number.
- CAS.X
the CAS number of each identified metabolite.