elco_nosc: Carbon oxidation state, carbon oxidative ratio, and degree of...

In henningte/elco: Handling Data on Chemical Element Contents and Isotope signatures

Carbon oxidation state, carbon oxidative ratio, and degree of unsaturation

Description

Functions to compute the carbon oxidation state, carbon oxidative ratio, and degree of unsaturation with objects of class elco.

Usage

elco_nosc(c, h, n, o)

elco_or(c, h, n, o)

elco_du(c, h, n)

Arguments

c	An object of class elco with the amount of C [mol].
h	An object of class elco with the amount of H [mol].
n	An object of class elco with the amount of N [mol].
o	An object of class elco with the amount of O [mol].

Value

• elco_nosc: A quantities object with the carbon oxidation state.

• elco_or: A quantities object with the oxidative ratio.

• elco_du: A quantities object with the degree of unsaturation.

Functions

• elco_nosc: Computes the carbon oxidation state using the elemental composition of C, H, N, O.

• elco_or: Computes the carbon oxidation state using the elemental composition of C, H, N, O.

• elco_du: Computes the carbon degree of unsaturation using the elemental composition of C, H, N.

Examples

## NOSC
elco::chno %>%
  elco::elco_elco_convert_df(
    to = "mol",
    sample_mass = quantities::set_quantities(1, unit = "g", errors = 0)
  ) %>%
  dplyr::mutate(nosc = elco_nosc(c = C, h = H, n = N, o = O))

## oxidative ratio
elco::chno %>%
  elco::elco_elco_convert_df(
    to = "mol",
    sample_mass = quantities::set_quantities(1, unit = "g", errors = 0)
  ) %>%
  dplyr::mutate(or = elco_or(c = C, h = H, n = N, o = O))

## degree of unsaturation
elco::chno %>%
  elco::elco_elco_convert_df(
    to = "mol",
    sample_mass = quantities::set_quantities(1, unit = "g", errors = 0)
  ) %>%
  dplyr::mutate(du = elco_du(c = C, h = H, n = N))

henningte/elco documentation built on May 21, 2022, 6:56 p.m.