2CALIS for Bruker

Pulse program

• CALIS-1:
  2calis

Procedure

1. Start with a 1D HMQC parameterset rpar HMQC1D all
2. Change pulse program to 2calis pulprog 2calis
3. for 2CALIS-1 Change zgoptns to REFOCUS zgoptns REFOCUS
4. Set up the frequencies and decoupling and default pulselengths Change decoupler offset o2p to the offset of the X-nucleus to be calibrated. o2p 98 Change/set the decoupler CPD program CPDPRG2. CPDPRG2 garp Set the pulse lengths to default values. getprosol
5. Set up the acquisition parameters ased
6. Set cnst2 to 142 Hz or whatever your expect coupling constant, and cnst31 to 18 or whatever your longest pulse will be. Set the gradients up (gpz3 is not used by 2CALIS-2) gpz1 = 3% gpz2 = 80% p16 = 1 msec. p19 = 200 usec.
7. Make sure the power for the decoupling scheme is suitable for your system.
8. Set the receiever gain as appropriate for the sample rg. rga
9. Start the experiment and keep an eye on the amplifiers and temperature of the sample. Process and phase the resulting spectrum.
10. Perform the calibration run using for example popt see the manual page for popt for details