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Plotting Chemical Shift Values

This tutorial will illustrate how to automatically determine the chemical shift values of a 1-dimensional carbon spectrum.


Click File, Open, to select the data you wish to analyze.  

To automatically scale the spectrum typevsadj for vertical scale adjust. 

To automatically phase the spectrum type aph for auto-phase. 

After adjusting the spectrum, clickthe Process tab, then Display in the left side column. Now, select Peak threshold under the heading Find peaks. This will allow you to move the threshold up or down. All resonances above the threshold line will be considered, while those below it will be ignored. This allows you to select what resonances you would like to determine the chemical shift for. 

Click on the spectra where you would like the threshold line. You can also move it up or down by clicking below or above it. Once the threshold line is set, determine the chemical shift values by clicking Find peaks. The chemical shift values will display on the interface corresponding to each resonance in parts per million (ppm).  

To begin plotting the page, click Plot in the left side column.Check the box next to Peak labels and select ppm to plot the chemical shift values on the spectrum. 

ClickNone under the Parameters section, and uncheck the boxes labeled Comments and Miniplots to plot the spectrum only. If you would like plot the individual experimental parameters alongside the spectrum select Basic or All.  

To print the plotted spectra click Print  

To save the plotted spectra as a post script file click Preview. This will generate a .pdf that can be saved This saves the plot in a format that can be edited and further annotated by illustrator, canvas, or any other similar software.  

To email yourself a .pdf containing the plotted spectrum, first click File then AutoSave. Then click Preview, check the box next to email, and enter the email you would like to send the plot.  

Last Updated: 12/8/16