[CSC 335] analysis.txt

[Andrew J. Pounds]

On 12/08/2015 10:20 PM, Corey R. Nalli wrote:
>
> I'm having trouble understanding the analysis.txt file. I though we 
> were to shift our points based on the TMS. If that's so, wouldn't the 
> rightmost peak location be at 0? I checked my own calculations and I 
> did get get 10 peaks with about the same areas. But my rightmost 
> (bottom) peak is at 0 because my TMS is found at the bottom peak and I 
> wrongly move my data to that point. So I guess my question is what am 
> I looking for to get my TMS value?
>

The rightmost peak is still zero.  Based on number 1 on page 2 of the 
description document (with the figure) you are shifting the most 
positive peak (the TMS value) to zero and all other peaks will be 
shifted with respect to this.  The unfiltered (and unshifted relative to 
TMS) plot of compound1.dat looks like the following...

nmr plot

So that most positive peak (around 10.5) get shifted to zero and all of 
the other peaks get shifted to much more negative values.



-- 
Andrew J. Pounds, Ph.D.  (pounds_aj at mercer.edu)
Professor of Chemistry and Computer Science
Mercer University,  Macon, GA 31207   (478) 301-5627
http://faculty.mercer.edu/pounds_aj

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