PowderCell powder pattern calculation (by Werner Kraus and Gert Nolze) (http://www.ccp14.ac.uk/tutorial/powdcell/)

• Can model multiple phases for quantitative analysis or modeling impurities

• Interactively modify atom occupancies and observe changes in the powder pattern

• Move atoms using point and click then see the change in the powder pattern

• Overlay a calculated powder pattern with raw diffraction data.

• Whole pattern unit cell refinement

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