calc_RI: Calculate Van Den Dool and Kratz Retention Indicies

In Aariq/chemhelper: Helper Functions For Dealing With GCMS and LCMS data from IonAnalytics

Calculate Van Den Dool and Kratz Retention Indicies

Description

This function calculates retention indices using the Van Den Dool and Kratz equation

Usage

calc_RI(rts, alkanesRT, C_num)

Arguments

rts	A vector of retention times to be converted to retention indices
alkanesRT	A vector of retention times of standard alkanes, in descending order
C_num	A vector of the numbers of carbons for each of the alkanes

Value

A vector of retention indices

See Also

calc_RT

Examples

alkanes <- data.frame(RT = c(1.88, 2.23, 5.51, 8.05, 10.99,
                             14.10, 17.20, 20.20, 22.90, 25.60,
                             28.10, 30.50, 32.81, 35.22, 37.30),
                      C_num = 6:20)
calc_RI(11.237, alkanes$RT, alkanes$C_num)

Aariq/chemhelper documentation built on Feb. 24, 2023, 8:16 p.m.