create_1D_specturm: 1D Spectrum Generation Function

In atfrank/nmR: Functions for the Analysis and Comparison of NMR Data

Description

This function generate a 1D NMR spectrum for chemical shift

Usage

create_1D_specturm(cs, bw = 0.01, proton = TRUE)

Arguments

cs	input chemical shift dataframe. Should contain field: model, resid, nucleus, weight, and predCS
bw	bandwidth for density calculation
proton	generate spectrum for proton nuclei; if not, will generate spectrum for carbon.

Examples

create_1D_specturm(cs, proton = FALSE)

atfrank/nmR documentation built on May 10, 2019, 2:09 p.m.