The NMR software
by NMR Center,
N.D. Zelinsky Institute of Organic Chemistry,
Russian Academy of Sciences

is a DOS-based program for iterative analysis of high resolution NMR-spectra.

CALM screen
 (C) Resonance Co., 1991

 Download CALM
(ZIP archive, 195 Kb)

  • up to 8 non-equivalent spins 1/2
  • magnetic equivalence
  • X-factorization
  • fast LAOCOON-type algorithm
  • fast and friendly graphic user interface
  • simple assignment procedure
  • utility for spectra transfer from Bruker NMR instruments
 Future extentions:
  • 9 spins
  • quadrupolar nuclei
  • dipolar and quadrupolar couplings

How to see CALM in action.

  1. Copy the following files to you hard disk:
    CALM.EXE   - CALM shell,
    U3.EXE     - CALM calculation module,
    TEST.SPC   - test "experimental" spectrum,
    TEST.PAR   - parameters for TEST.SPC simulation
    MANUAL.TXT  - short CALM description.
  2. Run CALM.EXE
  3. Read TEST.SPC using File/Read Experimental spectrum menu entry
  4. Read TEST.PAR using File/Read Parameters menu entry.
  5. Start Simulation using Calculation/Simulation menu entry.
  6. You can change any parameters if you think you may do it better than CALM.
  7. Select variable parameter groups: you should simply assign subsequent natural numbers to all the parameters.
  8. Go to display window and make assignment as discribed in MANUAL.TXT.
  9. Start iteration by pressing Alt-I from the display window or with the main menu (you can set the number of iterations as far as it is less than 10).
  10. Look at the new parameters values using the menu entry Parameters/Parameters and compare spectra in the display window, moving experimental spectrum close to calculated. Select suitable line width.
  11. Leave CALM using menu entry File/Quit.

Coder 7 screenCoder 7

A universal multiformat NMR data converter. Handles both FIDs and spectra. Runs under DOS.

 Download Coder 7 (ZIP archive, 78 Kb)

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