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SimulatingPowder

Given a cif file, simulate the reciprocal space powder diffraction pattern.

Internally, the scriptable GSAS-II engine used here for simulating powder patterns use origin choice 2. It can try to recognize origin choice 1 and do the conversion, but reliable conversion may not be guaranteed. So, we need to use caution here about the origin choice.

For structures with more than 1 origin choices or for whatever reasons you encounter the Internal Server Error, consider use the Bilbao tool here for converting the struture to a standard form compatible with GSAS-II.

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