Data Transfer between spectrometers and PCs:
(with a parallel NMRNET connection)



Processing 1D NMR Spectra on the PC using NUTS (Acorn NMR)
Note:  All commands must be typed without pressing “Enter”.
  1. Type GA (without return) and select the filename you want.
  2. Type LB  and enter the value “2”. For 13C type EM.
  3. Type FT,  AP,  BC.
  4. to do a manual phase correction, enter ZO:
    1. press Ctrl-F to see the full spectrum
    2. hold the left mouse button and draw a red box around tall signals on one side of the spectrum. Press “1”. Repeat for a tall signal on the other side. Press “2”.
    3. hit “«” and enter PE. Adjust the phase of region 1 and 2 with the mouse buttons.
    4. hit “«” to exit the phase correction.
  5. to set the chemical shift reference, enter ZO:
    1. zoom into the region with the solvent signal and hit “«”
    2. set the mouse pointer on the peak, hold the left mouse button, press “O” and enter the correct chemical shift into the dialogue box.
  6. Press Ctrl-F
  7. Type PP  to do peak picking, which is stored in the Clipboard and can be printed later.
    (Use DP to define peaks manually with the mouse.)
  8. Type AI,  to perform an automatic integration.
    (Use ID to integrate manually with the mouse.)
  9. Type PL to start the plotting dialogue.



Processing 2D NMR Spectra on the PC using NUTS (Acorn NMR)
Note:  All commands must be typed without pressing “Enter”.
COSY
  1. GA  - get the 1D 1H spectrum and process it.
  2. XR, XB - export the spectrum for the right and bottom projections.
    1. RU  - read user-defined macro
    2. double-click “COSY.MAC” macro, select your COSY-2D file,
    3. enter a new filename to save the transformed spectrum.
    4. When the 2D transform is over, you will be prompted to change parameters:
      Select F1, W1 and O1 with the mouse and enter the same values as F2, W2 and O2.
    5. Click the “UH and Exit” button.
  3. ZO  - zoom into a region of interest.
  4. Hold the left mouse button and drag the pointer to define the zoom region.
  5. Press the right mouse button to expand the region. Press “Enter” to exit zoom.
  6. MH  - to define lower or higher cutting levels.
  7. C  - to switch to contour plot, if you are ready to plot. (higher accuracy, but slower)
  8. Click “Page Setup” in the “File” menu and activate “Square 2D plots only”.
  9. Do not click “Printer Dialog”, it will mess up the plot !!!
  10. Click “Printer Setup” in the “File” menu to change the print parameters.
  11. Click “Print” in the “File” menu to start printing the 2D spectrum.


C,H correlation: ( you need the parameters from when you started the experiment.)

  1. GA - get the 1D 1H spectrum and process it, then type XR
  2. GA - get the 1D 13C spectrum and process it, then type XB
  3. RU, select XHCORR.MAC.
  4. Select the 2D data filename.
  5. After the transformation enter a new filename to save the spectrum.
  6. Set F2 = 360.13, W2 = 2* SW1 and O2 = O2 from the old parameters.
  7. Click “UH and Exit”.
  8. ZO -start the zoom process (left mouse button: define; right: select; “Enter”: exit).
  9. MH -define intensity levels.
  10. C Contour plot (not all crosspeaks may be visible, that’s OK)
  11. Click “Page Setup” in the “File” menu and deactivate “Square 2D plots only”.
  12. Do not click “Printer Dialog”, it will mess up the plot !!!
  13. Click “Printer Setup” in the “File” menu to change the print parameters.
  14. Click “Print” in the “File” menu to start printing the 2D spectrum.