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Background modelling in transmission X-ray powder diffraction (XRPD) of pharmaceutical compounds: a comparative analysis of different approaches

Pharmaceutical solids can exist in several forms: polymorphic crystalline and amorphous arrangements. Tablets are solids preparations of active pharmaceutical ingredients and additives; many of the additives commonly used are poorly crystalline or amorphous, determining the final solubility in the drug. The ability of correctly differentiate the extrinsic (non-sample dependent) and intrinsic (sample dependent) contributions to the background is a crucial step both for the quantification of non-crystalline phases in Quantitative Phase Analysis (QPA) and Pair Distribution Function (PDF) analysis of active pharmaceutical ingredients, excipients, and formulations. Pair Distribution Function method additionally requires the subtraction of incoherent and inelastic scattering.