create_residue_hmqc_peaks: HMQC Peaks Generation Helper Function

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

Description

This function allows you to convert chemical shift list to chemical shift peak table

Usage

create_residue_hmqc_peaks(cs, protons = c("H1'", "H2'", "H3'", "H4'",
  "H5'", "H5''", "H2", "H5", "H6", "H8"), carbons = c("C1'", "C2'",
  "C3'", "C4'", "C5'", "C5'", "C2", "C5", "C6", "C8"))

Arguments

cs	input chemical shift dataframe. Should contain field: model, resid, nucleus, weight, and predCS
protons	vector of proton nuclei.
carbons	vector of carbon nuclei.

Examples

create_residue_hmqc_peaks(cs)

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