[CSC 335] Project Questions

[Andrew J. Pounds]

Okay -- lets go through this...

1.  Find TMS before filtering and do your coordinate shift.
2.  Filter
3.  Spline
4.  Find areas relative to the baseline, not zero.
5.  Do not count TMS as one of your peaks -- it is only there to set the 
zero
6.  I would measure the tops normally (not from the baseline) -- but at 
this point I really don't care


On 11/14/2017 10:14 PM,wrote:
>
> Hey Dr. Pounds,
>
>
> I got the code up and running well! All of the numerical integration 
> values match up very closely with one another, so I figure that's a 
> good sign.
>
>
> However, I checked it with the data that you put online, and I 
> realized that I may have missed something along the way:
>
>
> When I use my code on that compound1.dat data with the same nmr 
> specifications, it misses the TMS peak because that peak's values end 
> up being less than the baseline after filtering. Does that mean my 
> filters are bad somehow? Or do I need to adjust the baseline somehow 
> in relation to the filtration process?
>
>
> Also, the areas and hydrogen counts are, unfortunately, off, but I 
> think it may be because I did not subtract the baseline area. Should 
> the integration be from the baseline or from 0? Should the top values 
> be measured relative to the baseline?
>
>
> Thanks,
>
>

-- 
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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