I’ve been very busy with a number of other projects lately, but my obsession with NMR got the better of me when I saw this post from the Q Magnetics people. That’s why I decided multiplet function to process nuclei with spin > 1/2. Along the way I rewrote the internals to be more robust and logical (sometimes my first attempt can be, shall we say, awkward). Also some of the aesthetics of the J-tree have been slightly adjusted. Here are a few examples with I > 1/2.
# You need `SpecHelpers` version 0.3.2 or higher; there is (as of this writing)
# an issue with the Mac Binary database, so if you are on Mac you need
# to install from source using:
# install.packages("SpecHelpers", type = "source")
library("SpecHelpers")res <- multiplet(J = 32, I = 1) # CDCl3 observe 13C -> 2H coupling
res <- multiplet(J = 1.13, I = 3 / 2, pw = 0.1) # NaBF4 observe 19F -> 11B coupling
res <- multiplet(J = c(10, 7), I = 3 / 2) # something random that looks interesting
Reuse
Quote
BibTeX quote:
@online{hanson2025,
author = {Hanson, Bryan},
title = {Multiplet {Function} {Now} {Handles} {I} \textgreater{} 1/2},
date = {2025-12-30},
url = {http://chemospec.org/posts/2025-12-30 Now-With-I/NowWithI.html},
langid = {en}
}
For source citation, you can cite this work as:
Hanson, Bryan. 2025. “Multiplet function now handles I > 1/2.” December 30, 2025. http://chemospec.org/posts/2025-12-30 Now-With-I/NowWithI.html.
Related
#Multiplet #function #handles #bloggers