Difference between revisions of "Inadequate.m"
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{{DISPLAYTITLE:inadequate.m}} __NOTOC__ | {{DISPLAYTITLE:inadequate.m}} __NOTOC__ | ||
| − | INADEQUATE pulse sequence. | + | INADEQUATE pulse sequence. Selects double-quantum coherence from coupled carbon pairs, then converts it back into observable single-quantum magnetisation. At natural abundance 13C, this produces only 13C pair subspectra. Implemented as described in: |
| + | |||
| + | https://doi.org/10.1021/ja00534a056 | ||
==Syntax== | ==Syntax== | ||
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fid=inadequate(spin_system,parameters,H,R,K) | fid=inadequate(spin_system,parameters,H,R,K) | ||
| − | == | + | ==Parameters== |
parameters.sweep sweep width in Hz | parameters.sweep sweep width in Hz | ||
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parameters.spins active nuclei, e.g. {'13C'} | parameters.spins active nuclei, e.g. {'13C'} | ||
| + | |||
| + | parameters.decouple nuclei to decouple, e.g. {'1H'} | ||
parameters.J working J-coupling in Hz | parameters.J working J-coupling in Hz | ||
| Line 29: | Line 33: | ||
An INADEQUATE spectrum simulation for cyprinol (examples/nmr_liquids/inad_cyprinol.m) appears below. | An INADEQUATE spectrum simulation for cyprinol (examples/nmr_liquids/inad_cyprinol.m) appears below. | ||
| − | [[File:inad_cyprinol. | + | [[File:inad_cyprinol.png]] |
==Notes== | ==Notes== | ||
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==See also== | ==See also== | ||
| − | [[inept.m]], [[dilute.m]], [[dept.m]], [[deptq.m]], [[hsqc.m]], [[hmqc.m]], [[hmbc.m]] | + | [[inept.m]], [[dilute.m]], [[dept.m]], [[deptq.m]], [[hsqc.m]], [[hmqc.m]], [[hmbc.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_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]] |
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''Version 2.3, authors: [[Bud Macaulay]], [[Ilya Kuprov]]'' | ''Version 2.3, authors: [[Bud Macaulay]], [[Ilya Kuprov]]'' | ||
Latest revision as of 06:50, 30 August 2026
INADEQUATE pulse sequence. Selects double-quantum coherence from coupled carbon pairs, then converts it back into observable single-quantum magnetisation. At natural abundance 13C, this produces only 13C pair subspectra. Implemented as described in:
https://doi.org/10.1021/ja00534a056
Syntax
fid=inadequate(spin_system,parameters,H,R,K)
Parameters
parameters.sweep sweep width in Hz
parameters.npoints number of points in the fid
parameters.spins active nuclei, e.g. {'13C'}
parameters.decouple nuclei to decouple, e.g. {'1H'}
parameters.J working J-coupling in Hz
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
Examples
An INADEQUATE spectrum simulation for cyprinol (examples/nmr_liquids/inad_cyprinol.m) appears below.
Notes
Use dilute.m to generate carbon pair isotopomers.
See also
inept.m, dilute.m, dept.m, deptq.m, hsqc.m, hmqc.m, hmbc.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_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
