Carlsberg Laboratory
NMR center
Pulse sequence library
Coupling Constants in Proteins
TROSY Experiments
Hydrogen Bond Experiments
Small Molecules
Pulse Calibration
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Edited HMBC for Bruker
Pulse program
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Multiplicity edited HMBC with third order low-pass J-filter:
edhmbc
AU-programs for processing
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General split and combination of interleaved 2D-data:
splitcomb
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General split of interleaved 2D-data:
splitil
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Splitting and adding several edhmbc-spectra
(as in broad-band hmbc, needs the AU-programs
splitcomb, madd2d and
mxfbxf2m):
p_bbhmbc
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Transforming several spectra:
mxfbxf2m
- Transforming several spectra:
mxfb
- Adding several spectra (as in broad-band hmbc):
madd2d
Procedure for pulseprogram edhmbc
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Start with a HMBC parameterset rpar HMBCGP all
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Change pulse program to
edhmbc
pulprog edhmbc
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Set
FnMODE to Echo-Antiecho
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Set up the acquisition parameters
ased
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Set
cnst6 to 125 Hz and
cnst8 to 165 Hz.
The preparation delay, d6
can initially be set to 65 ms.
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For a standard HMBC-experiment:
set the ZGOPTNS
to -DSUB and L31 to 0
ZGOPTNS -DSUB; l31 0
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For a up-down HMBC-experiment:
set the ZGOPTNS
to -DSUB and L31 to 1
ZGOPTNS -DSUB; l31 1
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For an edited HMBC-experiment
(i.e.,standard and up-down experiments
acquierd in an interleaved mode):
leave ZGOPTNS empty
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Set the number of scans to ~ 4× that of a decent HSQC
on the same sample. Keep the same receiver gain.
Processing of interleaved data
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Split and combine the dataset to two new datasets:
splitcomb 2
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Change to the first of the two datasets:
re <expno×100+1>
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Calculate the 'mixed mode' magnitude mode
1 phc0 90; 1 phmod pk; 2 phmod no; xfb; xf2m
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Process the second dataset (
<expno×100+2>) the same way.
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The second dataset contains
signals from CH and CH3-groups while the first dataset
contains signals from CH2-groups.
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