getClusterInfo {spectrumPool} | R Documentation |
getClusterInfo(pool,
path = NULL);
A dataframe object that contains the metadata of each spectrum inside the given cluster tree, this includes: 1. biodeep_id: metabolite unique reference id inside the biodeep database 2. name: the metabolite common name 3. formula: the chemical formula of the current metabolite 4. adducts: the precursor adducts of the metabolite addociated with the spectrum precursor ion 5. mz: the precursor ion m/z 6. rt: the lcms rt in data unit of seconds 7. intensity: the ion intensity value 8. source: the rawdata file source of current spectrum ion comes from 9. biosample: the biological sample source 10. organism: the biological species source 11. project: the public project id, example as the metabolights project id 12. instrument: the instrument name of the spectrum, could be extract from the metabolights project metadata.