About single crystal diffraction pattern

[Pasquale Marra]

First of all, thank you for the great software!

I am trying to calculate the single crystal diffraction pattern using the powder diffraction pattern tool.

Basically, I am trying to delete some of the reflection peaks and take into account only the reflection planes allowed by symmetry/geometry. In particular I would like to take only the contributions of planes (00l).

Is there a way to do in VESTA? 

If not, a simple idea is to reconstruct the single crystal diffraction pattern from the diffraction table. so the intensity of the peak is given by |F|^2.

The whole diffraction pattern should be

where I use the lorentzian to describe the spectral line. However, I get wrong results. If I try to reconstruct in this way the whole powder spectrum (with all reflection planes) using 

I get a diffraction pattern which does not match the pattern calculated by VESTA. Probably these equations are wrong...I am sorry because diffraction spectroscopy is not my expertise. Could you maybe help me to understand which equation should I use?

Thank you in advance.

[Pasquale Marra]

Sorry, the equations are maybe not visible in the post above. The first and second equations are herein the attachment.

[Miki]

Hello!

 Has this question been resolved?

I recently realized that there is no option of generating a 2D single crystal pattern, i.e. that one can control the orientation of the x-ray beam with respect to the crystallographic axes... it seems that should be an easy extension since under powder pattern there is a table that shows all the hkl "coordinates" so it is possible to separate various contributions.

One could manually separate these contributions from the table (if one knows all the conditions), but for some reason you cannot select the table and export it/copy it from Vesta :/. Why so? At least for Vesta on Mac.