[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 /
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://theochem.mercer.edu/pipermail/csc335/attachments/20231030/a80757da/attachment.html>


More information about the csc335 mailing list