R_Bragg Pawley/Lebail

mfisch

Hello

Why does one get very different r_braggs when doing a Lebail or Pawley on the very same pattern? The difference plot is basically the same...

Is it because, I_lebail = Icalc,hkl and, I_pawley = Icalc,hkl * M?

Of course, I have removed overlapping peaks from the Pawley list (i.e. 333 and 511 in cubic).

Cheers
Martin

alancoelho

To test if R-Bragg is being calculated the same way for both Le Bail and Pawley then do a refinement with zero iterations for both. R-Bragg should be the same.