Create a dataset from existing objects
create_dataset(datamatrix, type = "undefined", metadata = NULL,
description = "", sample.names = NULL, x.axis.values = NULL,
label.x = NULL, label.values = NULL, xSet = NULL)matrix with numerical data: rows are assumed to be variables and columns assumed to be samples.
type of data: string that can be one of the following:
nmr-spectra
nmr-peaks
ir-spectra
uvv-spectra
raman-spectra
fluor-spectra
ms-spectra
lcms-peaks
gcms-peaks
integrated-data
concentrations
undefined
data frame with the dataset's metadata: columns represent each metadata variable and rows represent the value of the metadata for the sample.
string with a short description of the dataset.
vector with sample names, if NULL then the column names of datamatrix or sequential numbers will be used.
vector with the x axis values, if NULL then the row names of datamatrix or sequential numbers will be used.
x axis label.
values label.
xcmsSet object from xcms package to store the reading and preprocessing results from MS spectra. Used for metabolite identification purposes.
list representing the dataset:
matrix with the data
type of the data
short description of the dataset
data frame with the metadata variables
list with labels of x axis and values
xcmsSet object