Mutate MS2 spectra for each variable
(required) mass_dataset class object.
rp or hilic.
positive or negative
default is 15 ppm.
default is 30 seconds.
work directory. In this path, please provide MS2 msp data.
A mass_dataset object with new added ms2 data.
if (FALSE) {
data("expression_data")
data("sample_info")
data("variable_info")
object =
create_mass_dataset(
expression_data = expression_data,
sample_info = sample_info,
variable_info = variable_info,
)
object
dir.create("demo_data")
system.file("ms2_data", package = "metid")
file.copy(file.path(system.file("ms2_data", package = "massdataset"), "QC_MS2_NCE25_1.mgf"),
to = "demo_data", overwrite = TRUE)
object =
mutate_ms2(object = object, column = "rp", polarity = "positive")
object@ms2_data
}