Fig. 3. Comparison between experimental ¹⁷O chemical shifts (δ) and GIPAW DFT computed magnetic shielding values (σ) for the α-d-glucose/NaCl/H₂O cocrystal: (a) isotropic values; (b) principal CS tensor components. The root mean square errors (RMSE) are: (a), 4.5 ppm; (b), 12.9 ppm.