noesyhsqc.m

Phase-sensitive NOESY-HSQC sequence from (http://pubs.acs.org/doi/abs/10.1021/bi00441a004) using the bidirectional propagation method described in (http://dx.doi.org/10.1016/j.jmr.2014.04.002). The sequence is hard-wired to {F1,F2,F3}={1H,15N,1H} with carbon decoupled throughout.

Syntax

fid=noesyhsqc(spin_system,parameters,H,R,K)

Arguments

parameters.npoints - a vector of three integers giving the

                          number of points in the three temporal
                          dimensions, ordered as [t1 t2 t3].

   parameters.sweep     - a vector of three real numbers giving
                          the sweep widths in the three frequen-
                          cy dimensions, ordered as [f1 f2 f3].

   parameters.J         - J-coupling for the HSQC stage magneti-
                          sation transfer, Hz.

   parameters.tmix      - NOESY stage mixing time, seconds.

   H - Hamiltonian matrix, received from context function

   R - relaxation superoperator, received from context function

   K - kinetics superoperator, received from context function

Outputs

fid - a structure with four fields: fid.pos_pos, fid.pos_neg,

          fid.neg_pos, fid.neg_neg that are used in the subsequ-
          ent States quadrature processing

Notes: the sequence starts with a pure Lz on protons at the mo-
       ment and assumes that the relaxation superoperator is not
       thermalised - the relaxation destination is the zero state.

ilya.kuprov@weizmann.ac.il
ledwards@cbs.mpg.de

Examples

An example NOESY-HSQC simulation for ubiquitin may be found in examples/nmr_proteins/noesyhsqc_ubiquitin_theo.m file; the output appears below.

Notes

The sequence starts with a pure Lz on protons at the moment and assumes that the relaxation superoperator is not thermalised - the relaxation destination is the zero state.

See also

noesy.m, hsqc.m, hnco.m, protein.m, nuclacid.m

Version 2.4, authors: Luke Edwards, Ilya Kuprov