GRIN-toolbox: A versatile and light toolbox for NMR inversion

NMR technique serves as a powerful analytical tool with diverse applications in fields such as chemistry, biology, and material science. However, the effectiveness of NMR heavily relies on data post-processing which is often modeled as regularized inverse problem. Recently, we proposed the Generally Regularized INversion (GRIN) algorithm and demonstrated its effectiveness in NMR data processing. GRIN has been integrated as a friendly graphic user interface-based toolbox which was not detailed in the original paper. In this paper, to make GRIN more practically accessible to NMR practitioners, we focus on introducing the usage of GRIN-Toolbox with processing examples and the corresponding processing graphic interfaces, and the user manual is attached as Supplementary Material. GRIN-Toolbox is versatile and lightweight, where various kinds of data processing tasks can be completed with one click, including but not limited to diffusion-ordered spectroscopy processing, magnetic resonance imaging under-sampling reconstruction, Laplace (diffusion or relaxation) NMR inversion, spectrum denoising, etc. In addition, GRIN-Toolbox could be extended to more applications with user-designed inversion models and freely available at https://github.com/EricLin1993/GRIN.