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Sensitivity of the NMR density matrix to pulse sequence parameters : a simplified analytic approach

机译:NMR密度矩阵对脉冲序列参数的敏感性:一种简化的分析方法

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摘要

We present a formalism for the analysis of sensitivity of nuclear magnetic resonance pulse sequences to variations of pulse sequence parameters, such as radiofrequency pulses, gradient pulses or evolution delays. The formalism enables the calculation of compact, analytic expressions for the derivatives of the density matrix and the observed signal with respect to the parameters varied. The analysis is based on two constructs computed in the course of modified density-matrix simulations: the error interrogation operators and error commutators. The approach presented is consequently named the Error Commutator Formalism (ECF). It is used to evaluate the sensitivity of the density matrix to parameter variation based on the simulations carried out for the ideal parameters, obviating the need for finite-difference calculations of signal errors. The ECF analysis therefore carries a computational cost comparable to a single density-matrix or product-operator simulation. Its application is illustrated using a number of examples from basic NMR spectroscopy. We show that the strength of the ECF is its ability to provide analytic insights into the propagation of errors through pulse sequences and the behaviour of signal errors under phase cycling. Furthermore, the approach is algorithmic and easily amenable to implementation in the form of a programming code. It is envisaged that it could be incorporated into standard NMR product-operator simulation packages.
机译:我们提出了一种形式主义,用于分析核磁共振脉冲序列对脉冲序列参数(例如,射频脉冲,梯度脉冲或演化延迟)变化的敏感性。形式主义使得能够针对密度参数和所观察到的信号的变化参数来计算紧凑的解析表达式。该分析基于在修改的密度矩阵模拟过程中计算出的两种构造:误差询问算子和误差换向器。因此,提出的方法被称为错误换向器形式主义(ECF)。它基于对理想参数进行的模拟,用于评估密度矩阵对参数变化的敏感性,从而无需进行信号误差的有限差分计算。因此,ECF分析的计算成本可与单个密度矩阵或乘积算子仿真相媲美。使用来自基础NMR光谱的许多示例说明了其应用。我们表明,ECF的优势在于它能够提供对脉冲序列中的误差传播以及相位循环下信号误差行为的分析性见解。此外,该方法是算法的,并且易于以编程代码的形式实现。设想可以将其合并到标准NMR产品-操作员模拟程序包中。

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