Dipsi2etgpjcsix1, Sensitivity and Gradient- enhanced HETLOC

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Warning: show this to your NMR facility manager before attempting to set up this experiment on your own!!!

Name: dipsi2etgpjcsix1
Platform: Bruker

Main article

Setting up

  • power levels pl1 (for hard proton pulses) and pl2 (hard carbon pulses) will be specific to your instrument
  • p1 at power pl1; calibrate pulse length p1 as 1H 90o pulse at power level pl1
  • p6 at power pl10; set p6 for desired bandwidth of dipsi2 sequence, calculate pl10 so that p6 corresponds to 1H 90o pulse
  • cnst2 - set to 1JCH (i.e. expected value of one-bond CH scalar couplings) in Hz
  • cnst16 - scaling factor for 1JCH in indirect dimension. Default = 1. Set it so that multiplets of interest would not overlap in the final spectrum
  • p3 @ pl2; calibrate p3 as 13C (or other X nucleus) 90o pulse at power level pl2
  • p14 @ sp3; typically p14 = 500 μs. Check value of spnam3 parameter. Calibrate power sp3 relative to pl2 and p2 so that shaped pulse spnam3 of length p14 corresponds to 180o 13C inversion pulse. Calibration procedure will depend on the value of spnam3, i.e. nature of the shaped pulse.
  • set o1p at the center of 1H spectral window
  • set o2p at the center of 13C chemical shift range to be affected by pulses p3 and p14
  • type 'eda' and set spectral window of indirect 1H proton dimension (SW parameter in the second column)
  • set number of increments in the indirect dimension inside the 'eda' window so that you obtain desired value of digital resolution in that dimension
  • at this time you can try typing gs then acqu and see how first fid looks like
  • if the vertical span of fid does not fit into the screen - adjust rg parameter until it does
  • adjust d1 and aq parameters so that you get acceptable length of recorded fid and sufficiently long relaxation between scans


NMRPipe data conversion script


bruk2pipe -in ./ser  \
 -bad 0.0 -noaswap -DMX -decim 48 -dspfvs 12 -grpdly 0  \
 -xN              6400  -yN               490  \
 -xT              3173  -yT               245  \
 -xMODE            DQD  -yMODE        Echo-AntiEcho \
 -xSW         3968.254  -ySW         3967.073  \
 -xOBS         500.222  -yOBS         500.222  \
 -xCAR           4.773  -yCAR           4.773  \
 -xLAB             1Hx  -yLAB             1Hy  \
 -ndim               2  -aq2D          States  \
 -out ./test.fid -verb -ov

sleep 5

NMRPipe processing script

nmrPipe    -in test.fid \
| nmrPipe  -fn SP -off 0.5 -end 1.00 -pow 2 -c 1.0             \
| nmrPipe  -fn ZF -size 16384                                   \
| nmrPipe  -fn FT                                               \
| nmrPipe  -fn PS -p0 -138.0 -p1 -14.2 -di                      \
| nmrPipe  -fn TP                                               \
| nmrPipe  -fn SP -off 0.5 -end 1.00 -pow 2 -c 0.5             \
| nmrPipe  -fn ZF -size 1024                                    \
| nmrPipe  -fn FT                                               \
| nmrPipe  -fn REV \
| nmrPipe  -fn PS -p0 94.0 -p1 -7.0 -di                         \
| nmrPipe  -fn TP                                               \
| nmrPipe -fn NULL -out test.DAT -verb 2 -ov
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