A full profile fit program was developed to evaluate X-ray powder diffraction scans with a special emphasize on quantitaive phase composition. The program runs in the 32 bit MS Windows environments and comes with an easy to use and intuitive user interface.
The software starts from PDF2 style reference data ( the {d,I,hkl} sets of reflections) for each phase, that allows the profile fit for structureless phases too. Line shapes are modelled with the Pearson VII profile function. Appropriate corrections can be applied for preferred orientation (March-Dollase model) and mass absorption contrast (Brindley model).
Phase proportions are derived from the weight parameters of the profile fit corrected with their respective I/I_c coefficient. The calculated phase proportions depend on the particle size of the components and the absolute amounts (phase percentages) are normalized to the sum of the phases. These parameters can not be derived from the profile fit, they need to be determined independently. To improve the precision and reliability of phase quantification, the chemical composition of the sample is calculated from the phase percentages and compared to the values obtained from elemental analysis. The difference of calculated and analyzed chemistry (mass balance fit) can be refined simultaneously with the profile fit.
A fair amount of experience accumulated in analyzing various multiphase samples (ceramics, catalysts, cements, corrosion products, bauxites, ores, etc.) proves that this approach provides a fast and reliable way for phase quantification.

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