Spectral Simulations Incorporating Gradient Coherence Selection

Karl Young, Gerald B. Matson, Varanavasi Govindaraju, Andrew A. Maudsley

Research output: Contribution to journalArticlepeer-review

17 Scopus citations


Computer-aided methods can considerably simplify the use of the product operator formalism for theoretical analysis of NMR phenomena, which otherwise becomes unwieldy for anything but simple spin systems and pulse sequences. In this report, two previously available programming approaches using symbolic algebra (J. Shriver, Concepts Magn. Reson. 4, 1-33, 1992) and numerical simulation using object-oriented programming (S. A. Smith, T. O. Levante, B. H. Meier, and R. R. Ernst, J. Magn. Reson. A 106, 75-105, 1994) have been extended to include the use of gradient operators for simulation of spatially localized NMR spectroscopy and gradient coherence selection. These methods are demonstrated using an analysis of the response of an AX3 spin system to the STEAM pulse sequence and verified with experi-mental measurements on lactate.

Original languageEnglish (US)
Pages (from-to)146-152
Number of pages7
JournalJournal of Magnetic Resonance
Issue number1
StatePublished - Sep 1999
Externally publishedYes


  • Mathematica
  • NMR
  • Product operator formalism
  • Spectral simulation

ASJC Scopus subject areas

  • Molecular Biology
  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Radiology Nuclear Medicine and imaging
  • Condensed Matter Physics


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