Grain boundary simulation issue line B, and display results

Dear,
I contact you concerning an issue I have with the software. I am new with the software.
I am interested in the option to simulate a line profile at a grain boundary.
My first problem is that one of the compound I have contains among others boron, but I don't see any lines that I could select for the analysis, no Kalpha for boron. Do you know why?
Then when I run a test on grain boundary from two materials, and create batch with the distance X which varies, nothing happens when I run. 8 s but then no data display.

Thank you very much is you have idea on it,
Kind regards,