[CSC 335] Sample Output

[Andrew J. Pounds]

Using the data set from the class webpage...


                             -=> NMR ANALYSIS <=-


Program Options
===============================
Baseline Adjustment  :     1650.0
Tolerance            :   1.0E-09
Boxcar Size (Cyclic) :    11
Boxcar Passes        :     3

Techniques
===============================
Newton-Cotes Composite Integration
     

Plot File Data
===============================
File: nmr.dat            
Plot shifted   2.9645 ppm for TMS calibration



Peak     Begin             End              Location        
Top              Area             Hydrogens
=======  ================  ================ ================
================ ================ =========
   1      -4.885421477935   -4.433162437239  -4.581662478943    
22800.234004 3.8669797004E+03        40
   2      -3.545259819548   -3.365139950063  -3.497184425449      
897.926082 9.5497590347E+01         1
   3      -1.725722024509   -1.528963893238  -1.637471041536    
20917.123605 1.6909713083E+03        18


Analysis took  0.0024 seconds.

-- 
*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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