Data is organised into the following folders:

- Calculated Chemical Shifts
- Crystal Structures
- Molecular Extractions
- PXRD Data
- Solid-state NMR Data

Solid-state NMR data is in the form of Bruker data files that can be read with Topspin or other compatible software.

PXRD data is in the form of both raw data from the Riga diffractometer used, and also x-y text files that can be imported into Excel.

Crystal structures are given as .cif files which can be read by most crystal structure viewing software.

Calculated chemical shifts and molecular extractions are in the form of CASTEP and Gaussian output files which can be read by MagresView and Gaussview software, and also read directly as text files.