An open-access WebApp for inverse Laplace transform analysis of time-domain nuclear magnetic resonance signals

一个用于时域核磁共振信号逆拉普拉斯变换分析的开放获取Web应用程序

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Abstract

Over recent years, compact and low-field time-domain nuclear magnetic resonance (TD-NMR) instruments have become increasingly available, expanding their use in the characterization of biomaterials across food, plant, and agro-industrial research. In this context, the inverse Laplace transform (ILT) has emerged as a powerful mathematical approach for extracting relaxation time distributions from TD-NMR signals. However, despite its widespread use, ILT analysis is often restricted to proprietary software or requires advanced expertise in numerical methods, limiting its accessibility to non-specialist users. In this work, we present an open-access WebApp for performing ILT analysis of TD-NMR signals in a transparent and user-friendly manner. The implemented algorithm is based on non-negative least squares combined with Tikhonov regularization and singular value decomposition, allowing robust inversion of ill-posed relaxation data. The platform supports the main TD-NMR experiments used in practice, including Carr-Purcell-Meiboom-Gill (CPMG), inversion recovery, and saturation recovery pulse sequences, and is compatible with data from instruments of any manufacturer. In addition to describing the mathematical formulation and implementation of the algorithm, a concise methodological discussion of ILT in the context of TD-NMR is provided. The performance of the WebApp is evaluated using both simulated datasets and representative experimental signals, demonstrating that the obtained relaxation time distributions are consistent with those produced by established ILT approaches. By lowering the barrier to advanced signal processing, the proposed WebApp represents a useful open scientific tool for research and teaching in magnetic resonance applications.

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