MUPen2DTool: A new Matlab Tool for 2D Nuclear Magnetic Resonance relaxation data inversion

A great variety of applications requires to process two-dimensional NMR (2DNMR) data to obtain information about the materials properties. In order to face the increasing request for software to easily process 2DNMR data, in (Bortolotti et al. (2019) [[1]Bortolotti V. Brizi L. Fantazzini P. Landi G. Zama F. Upen2Dtool: A uniform penalty matlab tool for inversion of 2D NMR relaxation data.SoftwareX. 2019; 10100302https://doi.org/10.1016/j.softx.2019.100302Abstract Full Text Full Text PDF Scopus (6) Google Scholar]), the authors released Upen2dTool, an open source MATLAB software tool implementing nonnegatively constrained uniform penalty locally adapted L2 norm-based regularization for 2DNMR data inversion. This paper presents MUPen2DTool a new open-source MATLAB software tool implementing an unconstrained multipenalty regularization method based on L2 and L1 norms. The new software MUPen2DTool outperforms Upen2dTool since the implemented uniform multipenalty method allows to compute very accurate 2DNMR data inversion at reduced computational cost. By means of MUPen2DTool, the user can choose among several types of NMR experiments, and the free software provides codes that can be used and extended easily. Furthermore, a MATLAB interface makes it easier to include users own data. The practical use is demonstrated in the reported examples of both synthetic and real NMR data.