[CSC 335] Project test data on the class web page
Andrew J. Pounds
pounds_aj at mercer.edu
Sat Oct 26 11:49:35 EDT 2019
Class - there are two test files on the class web page to help you test
your NMR codes. The first one is smaller (1329 points) that I created
with a very impure sample on our old (now decommissioned) 60 MHz NMR.
The values for the initial and final PPM values (the x axis) for each of
the peaks using a boxcar filter with a size of 5 and 5 passes are
correct. You can use that to help you determine if you codes are
determining the peak locations correctly.
The second file (much larger) is for a completely different molecule in
a more pure sample. It is there to help you insure that your program
does not segfault. I will not be providing results for it.
--
Andrew J. Pounds, Ph.D. (pounds_aj at mercer.edu)
Professor of Chemistry and Computer Science
Director of the Computational Science Program
Mercer University, Macon, GA 31207 (478) 301-5627
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