🚀 go-pugleaf

Hi, 

I am looking for free/cheap software to calculate x-ray
diffraction pattenrs from *single crystals*. "Ugly" CLI
interfaces and text output are not a problem, as long as 
the price is right :-). 

Assuming that  the orientation of the x-tal is defined 
relative to the direction of propagation of a fully-polarized 
x-ray beam  by two angles, polar and azimuthal, I would ideally 
like to calculate the positions of the diffraction peaks for a 
fixed polar angle as a function of energy *and* azimuthal
angle. 

I will appreciate your suggestions.

Thanks - Boyan

P.S.  For those of you wondering what the heck I am up to,
I am trying to do x-ray absorption spectroscopy on thin 
(2 Angstrom) metallic films on single-crystal subtrates, and 
diffraction "glitches" from the substrate are killing me.  
I would therefore like ot map the diffraction peaks within 
the energy range of interest (8-9 keV) and determine substrate 
orientations that avoid/minimize the glitch problem.
---------------------------------------------------------
Boyan I. Boyanov          |   phone: (919) 515-1330
NCSU, Physics, Box 7518   |   fax:   (919) 515-4496
Raleigh, NC 27606-7518    |   email: boyanov@eos.ncsu.edu
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       <http://ncstarg.physics.ncsu.edu/boyan>
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