Dulce_to_xcmsSet: Transform 'XCMSnExp' object into a 'xcmsSet' object.

In margotbligh/Dulce: Annalyse and Annotate Glycans Mass Spectrometry Data

Transform XCMSnExp object into a xcmsSet object.

Description

This functions transforms a XCMSnExp object into a xcmsSet object. It will also classify and name the given samples if no name or grouping class is specified, making the corresponding warnings.

Usage

Dulce_to_xcmsSet(data, names = NULL, classes = NULL)

Arguments

data	XCMSnExp object
names	Character vector with length equals to the amount of samples. It defines the identifier of each sample. If NULL (default), it generates names according to: sprintf('sample_\%03d', 1:nrow(data)) (sample_001, sample_002, etc).
classes	Character vector with length equals to the amount of samples. It defines the main grouping of the samples. If NULL (default), it defines an "Unclassified" group for all samples.

Value

This function returns a xcmsSet object.

See Also

xcms::xcmsSet Dulce_AnnotateMS1

Examples

# Examples have to be made with a toy data object.

margotbligh/Dulce documentation built on May 15, 2022, 10:51 a.m.