Bruker Avance III 600 (ariel) and 800 (neptune) Instructions

Instructions for Bruker AV III 800MHz (neptune) and 600MHz (ariel)

Log in (get your user name and password from Jeff Ellena or someone in your lab).

Start TopSpin, select parameters and create a new directory

Click on the TopSpin icon to start the app for spectrometer control and data processing and visualization.

Go to the top, left icon on the TopSpin screen. Open a file that contains parameters you wish to use for your experiment. A set of directories containing suitable parameters for popular 1D and 2D experiments for small molecules (< 3000 g/mol) can be found in the setup directory which is in most nmrdata directories or in the /home/nmrlab/nmrdata directory.

Go to the command line (just above the status bar at the bottom of the TopSpin window).

Enter edc to create a new directory for your experiment. Change NAME or EXPNO. Select Use current parameters. Expand the Options section and set the DIR to the full pathname for your new directory (the directory storage location).

Check sample temperature

Look at the VTU parameter (sample temperature) at the bottom of the TopSpin window. If you wish to change the sample temperature enter edte on the command line. Change the Target temp. to the desired sample temperature.

Insert a sample

Click on the BSMS Control Suite icon (located in the set of icons near the top of the TopSpin window, put the cursor on an icon to get a pop-up description).

-Use the depth gauge to position the sample in the spinner.

-Click LIFT.

-Make sure the sample and spinner will float on the air exiting the top of the magnet

before letting go of the sample.

-Click LIFT (in a few seconds the BSMS should indicate Sample: down)

-Minimize the BSMS Control Suite window

Tune the probe

Enter atma at the command prompt, this will automatically tune the probe.

Load a shim file, lock, and shim

Enter rsh to load a shim file. Select a file that contains the characters cpstdtube and a recent date.

Type lock at the command prompt.

-Select your lock solvent from the pop-up menu.

Retrieve the BSMS Control Suite window. Click the SPIN button. The SPIN button background will become green will when the spinning has stabilized at the spin rate setting.

Enter topshim at the command prompt, this will automatically shim your sample

If your lock level is too high (around 100!), turn down the LOCK Gain using the BSMS Control Suite (remember to hit the STD BY when you are finished).

(Optional) For fine shimming use the BSMS Control Suite to manually shim Z, Z3, Z2. Select the SHIM then adjust with the + and – buttons for maximum lock level.

Pulse calibration should be done for experiments other than 1D H1 and 1D C13. (see below)

Enter rga at the command prompt to automatically adjust the NMR signal receiver gain.

Enter zg to collect a time domain NMR signal.

Enter efp to apodize and fourier transform the time domain signal to a frequency domain signal.

Click the BSMS LOCK On-Off button to change the lock mode to Sweep. Click the SAMPLE LIFT button to eject your sample from the magnet. After you have retrieved your sample, click SAMPLE LIFT again to turn off the sample eject air. 

Go to your lab and transfer your data to your computer or a lab computer for further processing, visualization, and analysis.

Pulse Calibration

Enter pulsecal at the command prompt.

How to set up more than one experiment

  1. Create a directory for each experiment you wish to execute as described above.
  2. Go to the directory for the initial experiment you wish to execute by clicking on the appropriate number at the top right of the TopSpin window or opening the directory.
  3. Enter spooler on the command line.
  4. Click on Job in the spooler window and then New… In the New job window that pops up enter zg and click
  5. Go to the directory for the next experiment you wish to execute by clicking on the appropriate number at the top right of the TopSpin window or opening the directory.
  6. Repeat 4.
  7. Repeat 5 and 6 until all desired experiments are in the spooler.