Simulations

Following an interesting chat at ISMRM, I was put onto NMRSCOPEB - a simulation package within jMRUI.  It is incredibly easy to install and start working with and after a half day of work, I have managed to modify their PRESS sequence to have editing pulses in it and produce the following...

Small steps, but a great new (to me) tool.

NMRSCOPEB outputs data in matlab format and works through simple code files and a great table-based GUI. It also has a bunch of spin-systems already saved (as per Govindaraju et al. for GABA). I am happy to share the sequence files with anyone interested.

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Less Glowing Update
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Following this up, I started trying to do simulations of spatial positions within the voxel (which is needed to get the right simulated spectrum.  There appears to be a bug in how NMRSCOPEB handles spatial information, so I would strongly recommend not using NMRSCOPEB for simulation of spectra for makeing basis sets etc, where spatial information is crucial. As a quick look-see is seems to be OK.