readMetaboscape: Read Metaboscape Output File into a QFeatures Object

In ipb-halle/MetFamily: MetFamily: Discovering Regulated Metabolite Families in Untargeted Metabolomics Studies

Read Metaboscape Output File into a QFeatures Object

Description

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

## Not run: 
# 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)

## End(Not run)

ipb-halle/MetFamily documentation built on April 5, 2025, 5:05 p.m.