itrax_spectra {itraxR}

Import an individual spectra file

Description

Sometimes it is helpful to read an individual spectral file for diagnostics

Usage

itrax_spectra(filename, parameters = "settings.dfl", plot = TRUE, datapos = 37)

Arguments

filename

defines the name of the *.spe datafile from the core scanner to parse

parameters

optionally defines a relevant Q-Spec settings file in order to compute the energy scale, otherwise channel numbers are reported

plot

logical, if TRUE a side-plot is created

datapos

defines the row at which spectral data begins in the files

Value

a tibble of the parsed data

Examples

 itrax_spectra(filename   = system.file("extdata",
                                      "L000676.spe",
                                      package = "itraxR",
                                      mustWork = TRUE),
               parameters = system.file("extdata",
                                        "Results_settings.dfl",
                                        package = "itraxR",
                                        mustWork = TRUE)
               )