element_sorter: Element Sorter

In IDSL.UFA: United Formula Annotation (UFA) for HRMS Data Processing

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()

IDSL.UFA documentation built on May 31, 2023, 6:21 p.m.