Difference between revisions of "Hmbc.m"
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{{DISPLAYTITLE:hmbc.m}} __NOTOC__ | {{DISPLAYTITLE:hmbc.m}} __NOTOC__ | ||
| − | + | Magnitude-mode HMBC pulse sequence from A. Bax and M.F. Summers, J. Am. Chem. Soc., 108, 2093 (1986), https://doi.org/10.1021/ja00268a061 and https://doi.org/10.1016/0022-2364(88)90172-2. | |
| − | Magnitude-mode HMBC pulse sequence from A. Bax and M.F. Summers, J. Am. Chem. Soc., 108, 2093 (1986). | ||
==Syntax== | ==Syntax== | ||
| − | fid=hmbc(spin_system,parameters,H,R,K) | + | fid=hmbc(spin_system,parameters,H,R,K) |
| − | == | + | ==Parameters== |
| − | parameters.sweep [F1 F2] sweep widths in each | + | parameters.sweep [F1 F2] sweep widths in each |
frequency direction, Hz | frequency direction, Hz | ||
| − | + | ||
parameters.npoints [F1 F2] numbers of points in | parameters.npoints [F1 F2] numbers of points in | ||
each time direction | each time direction | ||
| − | + | ||
parameters.spins {F1 F2} nuclei, e.g. {'15N','1H'} | parameters.spins {F1 F2} nuclei, e.g. {'15N','1H'} | ||
| − | + | ||
parameters.J primary scalar coupling, Hz | parameters.J primary scalar coupling, Hz | ||
| − | + | ||
parameters.delta_b delta_2 delay from the paper | parameters.delta_b delta_2 delay from the paper | ||
cited above; the authors recom- | cited above; the authors recom- | ||
mend 60e-3 seconds | mend 60e-3 seconds | ||
| − | + | ||
H - Hamiltonian matrix, received from context function | H - Hamiltonian matrix, received from context function | ||
| − | + | ||
R - relaxation superoperator, received from context function | R - relaxation superoperator, received from context function | ||
| − | + | ||
K - kinetics superoperator, received from context function | K - kinetics superoperator, received from context function | ||
==Outputs== | ==Outputs== | ||
| − | fid - free induction decay for magnitude mode processing | + | fid - free induction decay for magnitude mode processing |
==Examples== | ==Examples== | ||
| − | |||
A simulated HMBC spectrum for camphor (examples/nmr_liquids/hmbc_camphor.m) appears below. | A simulated HMBC spectrum for camphor (examples/nmr_liquids/hmbc_camphor.m) appears below. | ||
| Line 40: | Line 38: | ||
==Notes== | ==Notes== | ||
| − | |||
Natural abundance experiments should make use of the isotope dilution functionality. See [[dilute.m]] function. | Natural abundance experiments should make use of the isotope dilution functionality. See [[dilute.m]] function. | ||
==See also== | ==See also== | ||
| − | + | [[dilute.m]], [[inept.m]], [[dept.m]], [[deptq.m]], [[hsqc.m]], [[hmqc.m]], [[clip_hsqc.m]], [[coloc.m]], [[cosy.m]], [[crazed.m]], [[ct_cosy.m]], [[ct_hsqc.m]], [[dqf_cosy.m]], [[ecosy.m]], [[hetcor.m]], [[hoesy.m]], [[inadequate.m]], [[inadequate_2d.m]], [[inv_rec.m]], [[mqs.m]], [[mqs_refocus.m]], [[noesy.m]], [[pansy_cosy.m]], [[pansy_triple.m]], [[roesy.m]], [[sat_rec.m]], [[tocsy.m]], [[Built-in_experiments]] | |
| − | [[dilute.m]], [[inept.m]], [[dept.m]], [[deptq.m]], [[hsqc.m]], [[hmqc.m]] | ||
| − | |||
''Version 2.3, authors: [[Bud Macaulay]], [[Ilya Kuprov]]'' | ''Version 2.3, authors: [[Bud Macaulay]], [[Ilya Kuprov]]'' | ||
Latest revision as of 06:49, 30 August 2026
Magnitude-mode HMBC pulse sequence from A. Bax and M.F. Summers, J. Am. Chem. Soc., 108, 2093 (1986), https://doi.org/10.1021/ja00268a061 and https://doi.org/10.1016/0022-2364(88)90172-2.
Syntax
fid=hmbc(spin_system,parameters,H,R,K)
Parameters
parameters.sweep [F1 F2] sweep widths in each
frequency direction, Hz
parameters.npoints [F1 F2] numbers of points in
each time direction
parameters.spins {F1 F2} nuclei, e.g. {'15N','1H'}
parameters.J primary scalar coupling, Hz
parameters.delta_b delta_2 delay from the paper
cited above; the authors recom-
mend 60e-3 seconds
H - Hamiltonian matrix, received from context function
R - relaxation superoperator, received from context function
K - kinetics superoperator, received from context function
Outputs
fid - free induction decay for magnitude mode processing
Examples
A simulated HMBC spectrum for camphor (examples/nmr_liquids/hmbc_camphor.m) appears below.
Notes
Natural abundance experiments should make use of the isotope dilution functionality. See dilute.m function.
See also
dilute.m, inept.m, dept.m, deptq.m, hsqc.m, hmqc.m, clip_hsqc.m, coloc.m, cosy.m, crazed.m, ct_cosy.m, ct_hsqc.m, dqf_cosy.m, ecosy.m, hetcor.m, hoesy.m, inadequate.m, inadequate_2d.m, inv_rec.m, mqs.m, mqs_refocus.m, noesy.m, pansy_cosy.m, pansy_triple.m, roesy.m, sat_rec.m, tocsy.m, Built-in_experiments
Version 2.3, authors: Bud Macaulay, Ilya Kuprov
