TY - JOUR
T1 - SIMPLTN, a program for the simulation of pulse NMR spectra
AU - Allman, Tim
AU - Bain, Alex D.
AU - Garbow, Joel R.
N1 - Funding Information:
We thank the Monsanto Company and the Natural Sciences and Engineering Research Council of Canada for financial support. Ian Burton, and many others, contributed ideas and helped to test the program.
PY - 1996
Y1 - 1996
N2 - SIMPLTN, a computer program for the simulation of pu/se and two-dimensional NMR, is described and illustrated. The program is menu-driven and is designed to run as much like a spectrometer as possible. This approach allows a complete density-matrix calculation to be performed, yet still makes the program easy to use. SIMPLTN serves as a learning tool, and allows the design and testing of new pulse NMR methods. A spin system and a pulse program are defined, and then the program calculates an FID. The simulated data can then be transformed, inspected, and plotted using a variety of commercial NMR software packages. Systems of up to six strongly coupled spins, and almost any common liquid-state pulse program, can be simulated. SIMPLTN includes a batch mode in which simulations may be queued, and parameters may be systematically varied. This paper gives an overview of the program, some of the unique theoretical features of the program, and examples of its use.
AB - SIMPLTN, a computer program for the simulation of pu/se and two-dimensional NMR, is described and illustrated. The program is menu-driven and is designed to run as much like a spectrometer as possible. This approach allows a complete density-matrix calculation to be performed, yet still makes the program easy to use. SIMPLTN serves as a learning tool, and allows the design and testing of new pulse NMR methods. A spin system and a pulse program are defined, and then the program calculates an FID. The simulated data can then be transformed, inspected, and plotted using a variety of commercial NMR software packages. Systems of up to six strongly coupled spins, and almost any common liquid-state pulse program, can be simulated. SIMPLTN includes a batch mode in which simulations may be queued, and parameters may be systematically varied. This paper gives an overview of the program, some of the unique theoretical features of the program, and examples of its use.
UR - http://www.scopus.com/inward/record.url?scp=0040226799&partnerID=8YFLogxK
U2 - 10.1006/jmra.1996.0210
DO - 10.1006/jmra.1996.0210
M3 - Article
C2 - 8980060
AN - SCOPUS:0040226799
SN - 1064-1858
VL - 123
SP - 26
EP - 31
JO - Journal of Magnetic Resonance - Series A
JF - Journal of Magnetic Resonance - Series A
IS - 1
ER -