Bruker Avance
800 MHz NMR Spectrometer

• Ultra-stabilized magnet of 18.8-Tesla magnetic field strength. The proton frequency is 800 MHz. The temperature of liquid helium in the magnet is reduced to ~2.0 K from 4.2 K using BMPC (Bruker Magnet Pump Control system).
• Three radio frequency channels with²H decoupling of 20 Watts. The powers of ¹H and two broadband channels are 100, 500 and 500 Watts, respectively.
• 70 Gauss/cm z-axis pulsed field gradient (PFG).
• Two probes:
  • TXI: three-channel inverse probe (¹H/¹³C/¹⁵N)
    
  • QXI: four-channel inverse probe (¹H/¹³C/¹⁵N/³¹P)

1. NMR spectrometer is very expensive, please run experiments as efficiently as possible.
2. Once you hear the sound (the sound of air flow) from magnet after you press the LIFT ON/OFF button on BSMS keyboard, you can insert spinner with your sample into magnet,otherwise you may break probe.
3. 120 dB of power level corresponds to zero output of radio frequency power and -6dB of power level corresponds to maximum output. In order to protect probe, please don’t set the power level to a value less than -5dB for proton channel (pl1>-5). You should be very careful when you change pulse widths and power levels.
4. When you manually tune and match probe, you should be very careful and don't turn the screw fast, otherwise you may break probe.
5. Please fill in log book on time and accurately.
6. You can always get help from the manager.

TXI Probe (¹H/¹³C/¹⁵N with ²H-decoupling):

• All 1D ¹H- or ¹³C-detected, single- or double-resonance NMR experiments
• All 2D ¹H-detected homonuclear or heteronuclear, double- or triple-resonance NMR  Experiments
• All 3D ¹H-detected homonuclear or heteronuclear, double-, triple-, or quadruplex-resonance NMR  Experiments
• Some 4D heteronuclear double-, triple-, or quadruplex-resonance NMR Experiments

• Besides the experiments being performed with QXI probe, NMR experiments related to ³¹P.

1. Type in login and enter your password to login the computer.
2. To enter the NMR software, type in xwinnmr in a shell.
3. To get a data set similar to your experiment, click File button, click search button, select a data set, and finally click Append button and Apply button.
4. To change the name, expno and user of the current data set, type in edc command. In the popped dialog, change the name, expno and user. Finally click the save button.
5. Insert your sample tube into spinner and adjust the position of the sample tube in the spinner with depth gauge.
6. Press LIFT ON/OFF button on BSMS keyboard, once you hear the sound (the sound of air flow) from magnet, you can insert the spinner with your sample into magnet. Then press LIFT ON/OFF button again. If your experiment takes long time, please place the cap on the up mouth of magnet.
7. Type in edte command to change the temperature of your sample. After the temperature is stable, you can perform the following steps.
8. Type in lock command to get lock signal, then in a popped window choose your solvent.
9. Type in A command to switch to acquisition window. Type in atmm command to remotely tune and match TXI probe. For QXI probe, you have to manually tune and match it.
10. Do manual shimming to get lock signal level as high as possible. Then type in gradshim command to shim automatically.
11. Type in gpro command to get default values of power levels and pulse widths.
12. To calibrate parameters, such as p1, type in paropt command and input proper initial value, increment and number of steps.
13. Type in zg command to start acquisition.
14. Type in efp command to process your data and get your spectrum.
15. To plot your spectrum, type in edo command to select an appropriate plot template in layout parameter. Then type in xwp command, modify related parameters and click plot button.