[CSC 335] NMR Output

[Andrew J. Pounds]

Here is the output from one of my test runs for the data file that is 
found on the website.  Let me know if you have questions.



rufus:/tmp/trunk % cat testdata.txt

                              -=> NMR ANALYSIS <=-


Program Options
===============================
Baseline Adjustment  :     1400.0
Tolerance            :   1.0E-11
Boxcar Size (Cyclic) :     5
Boxcar Passes        :     5

Techniques
===============================
Adaptive Quadrature
Analytic Derivatives

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



Peak     Begin             End              Location Top              
Area             Hydrogens
=======  ================  ================ ================ 
================ ================ =========
    1      -4.884951966926   -4.453664398942  -4.571409208257 
280988.928484 4.0135581393E+03       177
    2      -3.605901187186   -3.356872887264  -3.487814474503 
16510.967719 1.7061579299E+02         8
    3      -2.000083077440   -1.965599740731  -1.984740616404 
10517.748799 2.2635031896E+01         1
    4      -1.724598518127   -1.542695107270  -1.630037652007 
290884.760362 1.7779183986E+03        79


Analysis took 0.0220 seconds.


-- 
Andrew J. Pounds, Ph.D.  (pounds_aj at mercer.edu)
Professor of Chemistry and Computer Science
Mercer University,  Macon, GA 31207   (478) 301-5627
http://faculty.mercer.edu/pounds_aj