Rapid solid-state 29Si NMR chemical shift refinements of pure silica zeolite frameworks with an improved structure-to-shift correlation

Mathematica notebook for carrying out chemical shift structure refinements of zeolite frameworks; Chemical shift structure refinement data and results including NMR spectra (.jdx format) and initial and refined crystal structures (.cif files); Input and output files for CASTEP calculations of 29Si chemical shieldings.