Read Metaboscape Output File into a QFeatures Object

This function reads a metabolite profile output file (.xlsx) from Metaboscape and converts it into a QFeatures object.

Usage

readMetaboscape(file, version)

Arguments

file

A character string specifying the path to the Metaboscape output file (Excel format).

version

A character string specifying the version of Metaboscape used to generate the file. This parameter is currently not used.

Value

A QFeatures object containing:

• An assay named "exampleAssay" with the metabolite counts.

• Row data (feature metadata) extracted from the input file.

• Column data (sample metadata) extracted from the sample names, including injection order and sample name.

References

#TODO: Bruker metaboscape site #TODO: Ordering ?

See also

QFeatures for more information on the QFeatures class. SummarizedExperiment for details on the underlying data structure.

Examples

if (FALSE) { # \dontrun{
# Assuming you have a Metaboscape output file named "data.xlsx":
qf <- readMetaboscape("data.xlsx") #TODO: System file 


# Examine the structure of the resulting QFeatures object
qf

# Access the assay data
assay(qf[["exampleAssay"]])

# Access the row data (feature metadata)
rowData(qf[["exampleAssay"]])

# Access the column data (sample metadata)
colData(qf)
} # }