Conventional d-spacing and relative intensity data found in the Powder Diffraction File database are enhanced with the inclusion of raw diffraction data, especially in characterizing samples with poor crystallinity, disorder, and interesting microstructure.

A new method is presented for utilizing experimental powder diffraction patterns to rank in silico structures generated using a crystal structure prediction protocol.

The crystal structure of entinostat Form B has been solved and refined using laboratory X-ray powder diffraction data, and optimized using density functional techniques.

We share personal experience in the fields of materials science and high-pressure research, discussing which parameters are important to control and document in order to make deposited powder diffraction data reusable, reproducible and replicable.

This work provides practical information on the conventional top dusted sample preparation method and the top dusted adhesive tape sample preparation method. For the top dusted adhesive tape method, tapes with matte acetate or polyvinyl chloride backing are recommended as they cause a comparatively low background signal without high-intensity reflections.