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Calculated patterns were generated from crystallographic information files using the THEO function on Stoe WinXPOW software with a pseudo-Voight profile shape and a gauss component of 0.8. Tables 2 and 3 give the calculated °2θ, hkl and intensity values for the calculated diffraction patterns for phenacetin and monoclinic paracetamol, calculated from PYRAZB21 19 and HXACAN01 22 respectively.


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