MRG QuickNotes 1998


Idiot-proof Procedure for Working Up an NMR Spectrum Using GRAMS/32

with your Tour Guide: Greg Brust

M Do not turn PC off.

MM Do not change any of the program or computer default settings.

MMM NEVER Download anything to the polymer science computers.

Importing a file:

- Pull down File menu

- Select Import/Export

- At Convert window

- Select BRUKER

- Click Import

- Select data file (may need to select "All files (*.*)")

- Click OK

- At File Import window

- Change name of file (if necessary)

- Under "Output File Type select Spectra (*.SPC) & click OK

- Select Complex Output & click OK

Working up the spectrum:
- Pull down File menu

- Select Open

- Select desired data file in SPC format & click OK

- Pull down Arithmetic menu

- Select Do Program

- Select nmrapps.ab and click OK

- Click Apodize

- Select Matched exponential and click OK

- When asked for a line broadening value:

- For Proton spectra
- Click OK

- Use + and - keys on number pad to make green line "fit" FID, then hit enter.

- For Carbon 13 spectra
- Type 2.7 and click OK
- Click FFT

- Click Zero order

- Use + and - keys on the number pad to make baseline level (in case of 13C spectra, press F4 to flip 180o) then press enter.

- Click Done

- Click Disk save

- Click X-axis

- Click Select ref

- Choose reference peak on spectra (chloroform, TMS, etc)

- Input appropriate chemical shift in PPM (CD3Cl - 77.26, TMS - 0)

- Click OK

- Click Quit

And that's all there is to it! Tough, huh?

All spectra should have the same limits so that they can easily be compared. Here is how to solve that problem.

- Pull down View menu

- Select XYZ Settings

- Input desired left and right X limits

- for 1H spectra - left = 10 right = -0.5 (unless spectrum

- for 13C spectra - left = 200 right = 0 exceeds these limits)

- Click OK
Sometimes, you might like to show two or more spectra on one plot. Here's how to do that.
- Work up all spectra as above

- Pull down View menu

- Select Trace Mode

- Select Stacked

- Click OK

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Copyright ©1998 | Department of Polymer Science | University of Southern Mississippi