# Formatting NMR Data

Hi I am trying to write up some NMR data and would like to be able to make some of the formatting a little simpler to setup.

Looking at this this link here I was able to go through and change the coupling constants to italics, but I think this might be a messy solution because it seems to have had some effect on my fonts and also how the \emph command works with the \ce label.

For example, within the new [NMR2] environment, I would like to be able to identify individual proton signals eg. \ce{CH2C\emp{H}3}. This seemed to work ok when I was trying to come up with a MWE, but once I tried using it within my actual document, it fails to work.

\documentclass[11 pt]{report}

\usepackage[T1]{fontenc}
\usepackage{bera}
\usepackage[scaled]{berasans}
\usepackage[scaled]{beramono}
\usepackage{textcomp}

\usepackage[utf8]{inputenc}
\usepackage[english]{babel}

\usepackage[left=1in, right=1in, top=0.75in, bottom=0.5in, includeheadfoot, headheight=13.6pt]{geometry}
\usepackage{setspace}
\usepackage[compact]{titlesec}
\usepackage{balance}
\usepackage{lastpage}
\usepackage[toc, page, header]{appendix}
\usepackage{fancyhdr}
\usepackage[plain]{fancyref}

\usepackage{achemso}
\usepackage[version=3]{mhchem}

\usepackage[runs=2]{auto-pst-pdf}
\usepackage{chemstyle}
\usepackage{chemnum}

%%
%This Section Taken from linked%
\usepackage{regexpatch,environ}

\NewEnviron{NMR2}{%
\xpatchcmd*\BODY{J}{\textit{J}}{}{}%
\BODY}

%%

\usepackage{graphicx}
\usepackage{mathptmx} \usepackage[scaled=.95]{helvet} \usepackage{courier}

\begin{document}

\begin{NMR2}
\ce{^1H} (\SI{600}{\MHz}; \ce{DMSO-d6}) 4.14 (2H, q, J 7.1 Hz, \ce{C\emph{H}2CH3}), 1.22 (3H, t, J 7.1 Hz, \ce{CH2CH3}).
\end{NMR2}

\end{document}


Is there a better way to do what I want here?

Here are the error messages:

? Runaway argument? ! Paragraph ended before \emph was complete. \par l.45 \end{NMR2}

? ! Missing $inserted.$ l.45 \end{NMR2}

? ! Missing } inserted. } l.45 \end{NMR2}

? ! Missing } inserted. } l.45 \end{NMR2}

? ! Missing } inserted. } l.45 \end{NMR2}

? ! Undefined control sequence. \mhchem@cf@i ...tect #1\else \if \mhchem@cf@state e\mhchem@cf@sup =\expandaf... l.45 \end{NMR2}

• We can't help you unless you can come up with a MWE that reproduces the issues you have. The code you present here works fine. – clemens Sep 25 '14 at 7:22
• Perhaps it is an issue with my installation then? When I ran this through, it failed to compile properly, issues with extra } and \$ I have am reinstalling miktek now, hopefully it will be ok afterwards. – Dylan Sep 25 '14 at 7:37
• Does the exact code from your question produce errors (if so then I misunderstood the question)? You should then post the exact error message you get (re-installing really is the very last measure) – clemens Sep 25 '14 at 7:40
• Yeah it does. The console output is too large to enter in its entirety. I will try and edit my post with just the error messages – Dylan Sep 26 '14 at 6:24

## 1 Answer

Making a copy of the .tex file into a new directory seems to have solved the problem. It looks like I had a few extra .sty files that might have been causing the issue. Not really sure which one it was, but it now compiles fine.

Thanks.