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Okay -- lets go through this...<br>
<br>
1. Find TMS before filtering and do your coordinate shift.<br>
2. Filter<br>
3. Spline<br>
4. Find areas relative to the baseline, not zero.<br>
5. Do not count TMS as one of your peaks -- it is only there to
set the zero<br>
6. I would measure the tops normally (not from the baseline) --
but at this point I really don't care<br>
<br>
<br>
On 11/14/2017 10:14 PM,wrote:<br>
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<p>Hey Dr. Pounds, </p>
<p><br>
</p>
<p>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. </p>
<p><br>
</p>
<p>However, I checked it with the data that you put online, and
I realized that I may have missed something along the way:</p>
<p><br>
</p>
<p>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?</p>
<p><br>
</p>
<p>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?</p>
<p><br>
</p>
<p>Thanks, </p>
<p><br>
</p>
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</p>
<pre class="moz-signature" cols="72">--
Andrew J. Pounds, Ph.D. (<a class="moz-txt-link-abbreviated" href="mailto:pounds_aj@mercer.edu">pounds_aj@mercer.edu</a>)
Professor of Chemistry and Computer Science
Mercer University, Macon, GA 31207 (478) 301-5627
<a class="moz-txt-link-freetext" href="http://faculty.mercer.edu/pounds_aj">http://faculty.mercer.edu/pounds_aj</a>
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