Data Transfer between spectrometers
and PCs:
(with a parallel NMRNET connection)
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At the spectrometer console:
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Press "Ctrl-X" to get into region #2
(The LCD display should show "2S:" or "2U:".)
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Press "Ctrl-E" and type "NMRNET «" at the *-prompt.
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Press "Ctrl-X" to exit region #2
("1U:" will appear on the LCD display.)
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At the PC:
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Double-click on the "NMRNET" icon in the WINDOWS group "Transfer".
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In the NMRNET window type "HELP «", to see all available
commands.
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Type "get filename.ext «" to fetch a file from the spectrometer.
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Type "send filename.ext «" to send a file to the spectrometer.
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Type "exit «" to exit the program simultaniously on the PC
and the spectrometer.
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The transfer of a 32K proton file takes approx. 3 seconds.
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Wildcards are allowed (the usual BRUKER rules):
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"*" replaces only the first or the second group of four characters
of the filename or the complete extension.
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"?" replaces any single character.
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The transferred FIDs and spectra can be imported into most NMR Processing
programs.
Processing 1D NMR Spectra on the
PC using NUTS (Acorn NMR)
Note: All commands must be typed without pressing
“Enter”.
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Type GA (without return) and select the filename you want.
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Type LB and enter the value “2”. For 13C type EM.
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Type FT, AP, BC.
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to do a manual phase correction, enter ZO:
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press Ctrl-F to see the full spectrum
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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”.
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hit “«” and enter PE. Adjust the phase of region 1 and 2 with the
mouse buttons.
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hit “«” to exit the phase correction.
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to set the chemical shift reference, enter ZO:
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zoom into the region with the solvent signal and hit “«”
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set the mouse pointer on the peak, hold the left mouse button, press “O”
and enter the correct chemical shift into the dialogue box.
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Press Ctrl-F
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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.)
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Type AI, to perform an automatic integration.
(Use ID to integrate manually with the mouse.)
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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
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GA - get the 1D 1H spectrum and process
it.
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XR, XB - export the spectrum for the right and bottom projections.
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RU - read user-defined macro
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double-click “COSY.MAC” macro, select your COSY-2D file,
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enter a new filename to save the transformed spectrum.
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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.
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Click the “UH and Exit” button.
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ZO - zoom into a region of interest.
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Hold the left mouse button and drag the pointer to define the zoom region.
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Press the right mouse button to expand the region. Press “Enter” to exit
zoom.
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MH - to define lower or higher cutting levels.
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C - to switch to contour plot, if you are ready to plot. (higher
accuracy, but slower)
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Click “Page Setup” in the “File” menu and activate “Square 2D plots only”.
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Do not click “Printer Dialog”, it will mess up the plot !!!
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Click “Printer Setup” in the “File” menu to change the print parameters.
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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.)
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GA - get the 1D 1H spectrum and process it, then type XR
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GA - get the 1D 13C spectrum and process it, then type XB
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RU, select XHCORR.MAC.
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Select the 2D data filename.
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After the transformation enter a new filename to save the spectrum.
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Set F2 = 360.13, W2 = 2* SW1 and O2 = O2 from the old parameters.
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Click “UH and Exit”.
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ZO -start the zoom process (left mouse button: define; right: select; “Enter”:
exit).
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MH -define intensity levels.
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C Contour plot (not all crosspeaks may be visible, that’s OK)
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Click “Page Setup” in the “File” menu and deactivate “Square 2D plots only”.
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Do not click “Printer Dialog”, it will mess up the plot !!!
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Click “Printer Setup” in the “File” menu to change the print parameters.
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Click “Print” in the “File” menu to start printing the 2D spectrum.