partial information from PDF refinement?

kibeom

Hello, i'm Kibeom and I'm trying PDF refinements based on John's tutorial. It seems to work well.
But I cannot get the origin pair of each peak in G(r) function, (especailly very confused at long distance)

Is there any way to see pairs selectively? (ex. for AB2O4, A-O pair only)
Or any ticks possible?(like miller indices in Rietveld)

Thanks all

johnsoevans

This information isnt easily available, though there were some tricks presented at last weeks user meeting that mean it may be possible in the future. All you can refine is the cell parameter and possibly a small zero error.

If the local structure is different to the long range structure you may not get a good fit over the whole r range. It’s common for people to fit differernt r ranges (e.g. 0-5 then 5-10 etc). Do a search for box car refinements.

kibeom

Thank you John