CCL Home Page
Up Directory CCL NMR_AN.TXT

                        NMR Analyzer 3.0

                    Proton NMR analysis tool.

                      Jacobo Cruces Colado 

                  Department of Organic Chemistry

               University of Santiago de Compostela

                        La Coruna, Spain.

                          April 1994

    NMR Analyzer is a program intended for the analysis of simple (up to seven 

nuclei) proton spin system. The program is aimed at display and teaching of

proton Nuclear Magnetic Resonance spectra. NMR Analyzer runs on IBM PC's under

Microsoft Windows. It has been partially developed at the Department of

Organic Chemistry of the University of Santiago de Compostela, Spain,

and privately by the author. Requires VBRUN100.DLL Visual Basic's library!!!

    NMR Analyzer allows user to introduce the parameters for a spin system 

(tipically the number of nuclei, chemical shifts and coupling constants), and

generate the spectral data necessary to display the theoretical 1H-NMR 

spectrum. It displays also the Fz or energy levels for the system, the spin

basis functions, and the calculated spectral lines, with the initial and

final level for each line, and its intensity.

    As an addition for this type of programs, users familiarized with

different spin systems can analyse AB, ABX, AB2 and AA'XX' systems. However, 

this program is directed mainly to students. It can be a useful tool for

teaching basic concepts in proton NMR spectroscopy, particularly the 

dependence of first order rules on spectrometer field, the energy levels 

associated to transitions, etc. It's also interesting to test assignments

for simple spectra (methyl acrylate file is included as example) or even more

complex spectra (alpha-D-glucose pentaacetate is also included).

    Any comments, suggestions or questions about the package may be directed

to the author and will be very apreciated. 

Jacobo Cruces                              INTERNET:

Department of Organic Chemistry             

University of Santiago de Compostela 

La Coruna, 15706, Spain                    Fax:       34-81-595012

=============== added by Jan Labanowski =========
After unzipping the NMR_AN.ZIP you should get the following files:
         262 Feb 21 09:52 ab.dat
         192 Feb 20 14:31 ab2.dat
         457 Feb 12 02:39 abx.dat
       18688 Apr 28  1993 cmdialog.vbx
        3093 Apr  9 15:54 example1.nmr
        6227 Apr 23 02:26 example2.nmr
        6403 Apr 26 23:02 example3.nmr
        1754 Apr  9 16:14 example4.nmr
         367 Apr  8 19:28 file_id.diz
      131197 Apr 26 23:15 nmr.exe
       36912 Apr 25 14:38 nmr.hlp
       58112 Apr  9 16:39 nmr.wri

Modified: Thu May 4 16:00:00 1995 GMT
Page accessed 9874 times since Sat Apr 17 21:22:29 1999 GMT