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Scherrer method
One possible method of calculating crystallite size from XRD line broadening is to use the method developed by Scherrer in 1918, which uses the Scherrer equation:
Dv = Kλ / (β cosθ)
where Dv = Crystallite size weighted by volume, K = Scherrer constant (somewhat arbitrary), λ = wavelength of radiation, and β = integral breadth of peak (in radians 2θ) located at angle θ. This approach does, however, neglect the effect that strain can have on crystallite size.
2010/12/01 - XRD Crystallite Size Calculator using Scherrer Formula
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