get_CHNOS_element_class: get_CHNOS_element_class

In robertyoung3/MSanalyzeNOM: Utilities for Analyzing Complex Natural Organic Matter (NOM) Mixtures After Formula Assignment

Description

This function groups assigned formulas into element classes (e.g., CHO or CHNOS) without regard to specific element numbers. It is intended to be used for grouping in plotting, and has been written for the default element list (CHNOS). The element classes are ordered by decreasing relative abundances, so that the most abundant element class appears first.

Usage

get_CHNOS_element_class(data)

Arguments

data	a tibble containing a table of the assigned elements with a column name for each element (e.g., "C", "H", "N", "O" and "S") and a column named "rel_abund" containing the assigned formulas' relative abundances

Value

data with a new column containing the element classes as ordered factors

robertyoung3/MSanalyzeNOM documentation built on June 7, 2021, 7:46 a.m.