JcouplingTools

Demonstrations.nb ››
Guide page ›› Code on Github ››

A toolbox that allows simulation of NMR spectra using Hamiltonians based on methods from FID-A. It allows simulating large spin systems (Castillo et al. 2011) and was initially implemented to investigate fat spectra in TSE acquisitions of muscle (Stokes et al. 2013). However its most prominent application now is to generate basis spectra for fitting acquired MRS data. Back››

j-coupling simulation

References

Castillo, Andrés M., Luc Patiny, and Julien Wist. 2011. “Fast and accurate algorithm for the simulation of NMR spectra of large spin systems.” Journal of Magnetic Resonance 209 (2). Academic Press: 123–30. link››.
Stokes, Ashley M., Yesu Feng, Tanya Mitropoulos, and Warren S. Warren. 2013. “Enhanced refocusing of fat signals using optimized multipulse echo sequences.” Magnetic Resonance in Medicine 69 (4). Wiley-Blackwell: 1044–55. link››.