element_sorter {IDSL.SUFA}

Element Sorter

Description

This module sorts 84 non-labeled and 14 labeled elements in the periodic table for molecular formula deconvolution and isotopic profile calculation.

Usage

element_sorter(ElementList = "all", alphabeticalOrder = TRUE)

Arguments

ElementList

A string vector of elements needed for isotopic profile calculation. The default value for this parameter is a vector string of entire elements.

alphabeticalOrder

'TRUE' should be used to sort the elements for elemental deconvolution (default value), 'FALSE' should be used to keep the input order.

Value

Elements

A string vector of elements (alphabetically sorted or unsorted)

massAbundanceList

A list of isotopic mass and abundance of elements.

Valence

A vector of electron valences.

Examples

EL_mass_abundance_val <- element_sorter()