orbi_simplify_isox: Simplify IsoX data

In isoverse/isoorbi: Process Orbitrap Isotopocule Data

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()

isoverse/isoorbi documentation built on Aug. 9, 2024, 3:42 p.m.