diffraction patterns or spectra

Dear all, I see that in scientific literature (also in high-impact factor scientific journals) the diffraction patterns are often referred to as diffraction spectra. But we all know that diffraction is not a spectroscopic technique. Should we pay more attention on this aspect when we write or

Too many reflections in Fullprof

Hello, I'm trying to run some old PCR files that I obtained 5 years ago by refining synchrotron data, but I have a problem. Now I'm working with the February 2008 Fullprof version and when I'm trying to run this old PCR files a Stop/Warning Box opens with the warning Too many reflections or too

Re: Too many reflections in Fullprof

Hi Markus, you’re right. When I put Ste=2 the program runs, even if half experimental points are lost. It seems that with this FP version the step size of the diffraction pattern must be larger. Thank you, Alberto Scrive Markus Valkeapää markus.valkea...@tkk.fi: Hi! Just a thought but

cell edge limit in Fullprof

Dear all, I'm trying to fix the limits of one lattice parameter in Fullprof. So I put Nre=1 and limited the parameter between 5.49 and 5.50, but at the end of the refinement its value results about 0.43; a similar result is obtained also when I try to limit the other cell edges. for

[no subject]

Dear all, my question is: I'm refining neutron powder diffraction data of an oxide containing several metals. In my model I use the nominal composition; generally speaking, is it meaningful trying to refine the occupation of an atomic species whose concentration is few percent? Note that the

Re: BVS parameters at non-ambient conditions?

A method for the correction of the Rij parameters may be found in: Brown, Dabkowski, McCleary, Acta Cryst. B53 (1997) 750-761 Greetings, Alberto Dear colleagues, I am just wondering if there is any way to correct BVS (bond valence sum) parameters (R0 and B) to do calculations at non-ambient