用于多指数分析的简单 MATLAB 和 Python 脚本。

IF 1.9 3区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Magnetic Resonance in Chemistry Pub Date : 2024-05-30 DOI:10.1002/mrc.5453
Armin Afrough, Rasoul Mokhtari, Karen L. Feilberg
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引用次数: 0

摘要

多指数衰变在磁共振光谱学、弛豫和成像中非常普遍。本文介绍了针对一维和二维数据的正则化多指数分析方法的简单 MATLAB 和 Python 函数和脚本,以及测试问题和实验示例。对于一维和二维反演,正则化最小二乘法解决方案分别只需 ~5 行和 ~20 行代码即可提供具有稳健停止规则的生产质量输出。该软件提供了一种开放式架构的简单解决方案,可将指数衰变数据转换为其衰变寿命的分布。介绍了复杂流体(丹麦北海原油)和多孔材料中流体混合物(北海储层白垩中的黄油/原油混合物)的磁共振弛豫实例。所开发的代码可纳入其他软件或直接供其他研究人员使用,用于磁共振弛豫、扩散和成像或其他需要多指数分析的物理现象。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

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Simple MATLAB and Python scripts for multi-exponential analysis

Multi-exponential decay is prevalent in magnetic resonance spectroscopy, relaxation, and imaging. This paper describes simple MATLAB and Python functions and scripts for regularized multi-exponential analysis methods for 1D and 2D data and example test problems and experiments. Regularized least-squares solutions provide production-quality outputs with robust stopping rules in ~5 and ~20 lines of code for 1D and 2D inversions, respectively. The software provides an open-architecture simple solution for transforming exponential decay data to the distribution of their decay lifetimes. Examples from magnetic resonance relaxation of a complex fluid, a Danish North Sea crude oil, and fluid mixtures in porous materials—brine/crude oil mixture in North Sea reservoir chalk—are presented. Developed codes may be incorporated in other software or directly used by other researchers, in magnetic resonance relaxation, diffusion, and imaging or other physical phenomena that require multi-exponential analysis.

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来源期刊
CiteScore
4.70
自引率
10.00%
发文量
99
审稿时长
1 months
期刊介绍: MRC is devoted to the rapid publication of papers which are concerned with the development of magnetic resonance techniques, or in which the application of such techniques plays a pivotal part. Contributions from scientists working in all areas of NMR, ESR and NQR are invited, and papers describing applications in all branches of chemistry, structural biology and materials chemistry are published. The journal is of particular interest not only to scientists working in academic research, but also those working in commercial organisations who need to keep up-to-date with the latest practical applications of magnetic resonance techniques.
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Issue Information Quantitative analysis of selected alkaloids of Mitragyna speciosa using 1H quantitative nuclear magnetic resonance spectroscopy. The Solvatomagnetism of ET(33) Betaine and of Its Phenolic Precursor. Issue Information Recent advances in liquid-phase NMR of the coal-derived products.
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