[CSC 335] Wednesday Class

Andrew J. Pounds pounds_aj at mercer.edu
Tue Oct 24 13:52:53 EDT 2023


So now that the test is over we really need to start hammering on your 
NMR project and differential equations.  As far as the NMR project goes, 
at this stage of the game you have seen all of the techniques you need 
to complete the project.  Assuming that your data is filtered and that 
you can fit it to a cubic spline, the next hurdle is isolating the 
beginning and ending points for integration.  I would like to talk about 
some ways you can test your code tomorrow and verify that you are doing 
this properly. After that the only thing that remains is integrating the 
peaks.

We will then finish off the differential equation chapter off on Friday 
and talk about how to use gnuplot again.   Your homework for chapter 5 
is due the following Friday.

-- 
*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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