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Read IsoX file

Source: R/loading_functions.R
orbi_read_isox.Rd

Read an IsoX output file (.isox) into a tibble data frame.

Usage

orbi_read_isox(file)

Arguments

file

Path to the .isox file(s), single value or vector of paths

Value

A tibble containing at minimum the columns filename, scan.no, time.min, compound, isotopocule, ions.incremental, tic, it.ms

Details

Additional information on the columns:

  • filename: name of the original Thermo .raw file processed by IsoX

  • scan.no: scan number

  • time.min: acquisition or retention time in minutes

  • compound: name of the compound (e.g., NO3-)

  • isotopocule: name of the isotopocule (e.g., 15N); called isotopolog in .isox

  • ions.incremental: estimated number of ions, in increments since it is a calculated number

  • tic: total ion current (TIC) of the scan

  • it.ms: scan injection time (IT) in millisecond (ms)

Examples

fpath <- system.file("extdata", "testfile_dual_inlet.isox", package = "isoorbi")
df <- orbi_read_isox(file = fpath)
#> orbi_read_isox() is loading .isox data from 1 file(s)...
#> - loaded 5184 peaks for 1 compounds (NO3-) with 6 isotopocules (15N, 17O,
#>    18O, 15N18O, 17O18O, 18O18O) from testfile_dual_inlet.isox in 0.01
#>    seconds.