Spin Dynamics Forum

General Discussions => General Discussion => Topic started by: Ronghui on January 13, 2013, 03:51:48 AM

Title: Plotting NMR spectrum in Mathematica
Post by: Ronghui on January 13, 2013, 03:51:48 AM
I am trying to plot NMR spectrum (with a list of data points) in Mathematica, but it gave me reverse ordered spectrum where 0 ppm is shown on the left, and higher value like 10 ppm is on the right side.

How to plot the spectrum with descending x-axis, like having 10 ppm on the left and 0 ppm on the right side?

Thanks.

Ronghui
Title: Re: Plotting NMR spectrum in Mathematica
Post by: kuprov on January 13, 2013, 01:20:12 PM
So far as I can tell, there's no simple universal option in Mathematica. Some possibilities are discussed here:

http://mathematica.stackexchange.com/questions/5714/flipping-axis-on-a-plot

In Matlab, the command is

set(gca,'XDir','reverse');
Title: Re: Plotting NMR spectrum in Mathematica
Post by: Ronghui on January 13, 2013, 02:54:53 PM
Dr. Kuprov,

Thanks for your reply. Yes I am aware of the Matlab method to reverse the axis. I was wondering if Mathematica has a similar function.

I converted Bruker data into a list which can be read into Mathematica for plotting, and tried to plot the chemical shift scale as well.

Do you have a way to convert Bruker/Varian data into Matlab recognizable form?

Thanks.

Ronghui
Title: Re: Plotting NMR spectrum in Mathematica
Post by: Ronghui on January 13, 2013, 03:25:30 PM
http://mathematica.stackexchange.com/questions/5714/flipping-axis-on-a-plot

This turns out to be very helpful. Thanks.
Title: Re: Plotting NMR spectrum in Mathematica
Post by: kuprov on January 14, 2013, 09:28:31 AM
I think matNMR here

http://matnmr.sourceforge.net/

has data import facilities for all major vendors.