Office of Research

Center for NMR Spectroscopy

Running an automated 1H spectrum

Step 1 - choosing your solvent and the 1H option

  • After inserting, locking and shimming a sample we are ready to begin to do some NMR. Begin by clicking the Setup Exp tab on the bottom window as shown in the picture below.
  • By default NO is selected on both AutoLOCK and AutoSHIM as you have already locked and shimmed the sample. Next type in a file name to save the data under. Please read the following note on file name conventions! File names should have ONLY leters, numbers the - character or the _ or the . character. There should be NO SPACES in the filename and NO FUNNY CHARACTERS like %$#@!. Most important of all DO NOT USE the / character.
  • Type a meaningful text message in the text box, then click OK followed by Exit. Click on the Reset button to start over. If you do not want the data saved give no filename.
  • After clicking OK and Exit, the following dialog box appears:
  • At this point you can choose the spectral width you wish to acquire as well as the number of scans, the relaxation delay and the proton pulse angle. The defaults are -3 to 13 ppm, 1 scan, 1 second and 45 degrees. Either click a different choice or enter a different value. To set a new proton pulse width you must click the set button after entering a new angle.
  • Again click on Ok and Exit to close the dialog box. Reset reloads all of the defaults.

Step 2 - Beginning the acquisition

  • Click on the Acq & Obs tab to bring up the panel for reviewing the acquisition parameters and to begin the automated run as shown below.
  • At this point key parameters such as the Acquisition time, the number of points and any of the other parameters can be reviewed and changed. After review click on the Start Acquisition button to begin. If anything is not to your liking the Stop Acquisition button immediately aborts the run.
  • The Acuisition Status box will indicate that the spectrometer is setting the gain and acquiring the data as shown below.
  • Once the number of scans has been acquired the data is processed and plotted and the DONE message is displayed.
  • As a default the spectrum has no integration or peak picks.
  • Once the data has been acquired the spectroscopist generally wants to examine the spectrum in detail. The spectroscopist may also want to reprocess the data to enhance certain features or change certain properties of the spectrum.
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