CAGE: Software for a critical analysis of H-2 spin-lattice relaxation in liquid crystals

A software package of Mathematica, aimed at the analysis of H-2 NMR Zeeman (T-1Z) and quadrupolar (T-1Q) spin-lattice relaxation times in liquid crystals in terms of diffusional models, is presented. The models most commonly used to describe internal, overall, and collective motions in liquid-crystalline phases are considered, and dynamic parameters are obtained by means of either single point or global target approaches using simulation or fitting procedures. The use of the software as a tool for highlighting the problems encountered in this kind of analysis as well as for dealing with such problems following suitable strategies is illustrated by means of applications to experimental H-2 relaxation times of three different calamitic liquid crystals.