orbi_simplify_isox {isoorbi}

Simplify IsoX data

Description

Keep only columns that are directly relevant for isotopocule ratio analysis. This function is optional and does not affect any downstream function calls.

Usage

orbi_simplify_isox(dataset, add = c())

Arguments

dataset

IsoX data that is to be simplified

add

additional columns to keep

Value

A tibble containing only the 9 columns: filepath, filename, scan.no, time.min, compound, isotopocule, ions.incremental, tic, it.ms, plus any additional columns defined in the add argument

Examples

fpath <- system.file("extdata", "testfile_flow.isox", package="isoorbi")
df <- orbi_read_isox(file = fpath) |> orbi_simplify_isox()