Create a Metabolite object from three input data sets: 1) metabolite measurements (eg. peak area data or normalized data), and 2) metabolite annotation (eg. chemical annotation) 3) sample annotation (eg. sample meta data)
Usage
create_Metabolite(
assayData,
featureData,
sampleData,
featureID = "featureID",
sampleID = "sampleID",
logs = "",
miscData = list()
)Arguments
- assayData
a data.frame or data.table of metabolite measurements (peak area data or normalized data, sample [row] * feature [column]).
- featureData
a data.frame or data.table of metabolite annotation (chemical annotation)
- sampleData
a data.frame or data.table of sample annotation (sample meta data).
- featureID
a character of the metabolite ID column (in feature file and the column names of data), default: CHEM_ID (provided from Metabolon file).
- sampleID
a character of the sample ID column (in sample and the first column of data), default: PARENT_SAMPLE_NAME (provided from Metabolon file).
- logs
Log information.
- miscData
Ancillary data.