fractionate: Fractionate a delta value

In sebkopf/isocyclr: Model isotope fractionation in biogeochemical cycles and pathways

Description

Convenience function to fractionate a delta value using a fractionation factor in alpha or epsilon notation. This function does not approximate but calculates accurate fractionation.

Usage

fractionate(
  delta,
  alpha = NULL,
  epsilon = NULL,
  permil = TRUE,
  multiply = FALSE
)

Arguments

delta	The delta value (has to be in permil if permil = TRUE)
alpha	The fractionation factor in alpha notation.
epsilon	The fractionation factor in epsilon notation (alpha - 1) (has to be in permil if permil = TRUE).
permil	Whether the delta and epsilon values are in permil notation (i.e. all multiplied by 1000) or not.
multiply	Whether to multiply the delta-derived ratio by the fractionation factor or divide it. Divide is multiply=FALSE (the default), which is the correct behavior for kinetic fractionation factors defined as k_light/k_heavy and equilibrium fractionation factors defined as substrate/product. Multiply is multiply=TRUE, which is the correct behavior for kinetic fractionation factors defined as k_heavy/k_light and equilibrium fractionation factors defined as product/substrate.

Value

The resulting delta value (in permil notation if permil = TRUE)

Note

This function uses standard evaluation.

sebkopf/isocyclr documentation built on Nov. 9, 2020, 4:18 p.m.