[CSC 335] Class Today
Andrew J. Pounds
pounds_aj at mercer.edu
Mon Oct 30 10:01:41 EDT 2023
In class today I would like to review your project work to make sure we
are on track. Erving asked last week about the ordering of operations.
In my code I find the TMS peak first (most positive x-value with a peak
above the baseline we set on the y-axis) and then adjust the spectrum so
TMS is at zero. Then I filter the peaks. If I did this in the
reverse order it is possible that I could filter out TMS.
For those not in class last week - we moved the due date for the project
to next Wednesday. At this stage of the game you should have your
spline fit done and should be working on calculating the intersection
points of the peak edges with your baseline and then computing the area
of the peaks.
--
*Andrew J. Pounds, Ph.D.*
/Professor of Chemistry and Computer Science/
/Director of the Computational Science Program/
/Mercer University, Macon, GA, 31207 (478) 301-5627 /
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