Dear Luis Felipe Moreira Cesar,

The most exciting of the profile fitting developments has been the continuing development of a whole pattern x-ray refinement method to obtain crystal structure information, begun by Rietveld in 1969, who applied it to neutron diffraction.

https://www.sciencedirect.com/topics/biochemistry-genetics-and-molecular-biology/rietveld-refinement

Regards,

Shafagat

Hello Luis Felipe Moreira Cesar

It's not about different computers. You may have reached different local minimum, once that even if you were with two different computers, following the exact same path and configurations, the result would be the same. I can help in refinement if you want. I have used MAUD, but also other softwares, like GSAS-II.

Feel free to reply if you need help

Best regards

Dr. Ricardo Tadeu

Hello Ricardo, how are you? I see that you are also Brazilian. We can chat in Portuguese (if that is allowed by the forum), or maybe via email. I have used the classic GSAS, but I find it extremely laborious. I am now using MAUD, which I particularly like.

My problem is exactly what I mentioned: when I refine on my personal computer, I get different %wt than when I refine on my lab computer, for example. I use the same version of the software, the same DRX histogram, and the same CIF files. I would greatly appreciate your help.

Hello Luis Felipe Moreira Cesar

This is quite unusual, once that you may have followed the same path in both situation, this is intriguing. However, I know MAUD can make some automatic calculations, and I might expect that some configuration may be set different on the computers, and the automatic refinement acted differently.

Please message me in private here in RG, and we can discuss specifically.

Ricardo, I believe I can only send messages if the person follows me. I set it up to follow you. I believe you can send me messages, but I cannot send you any.

Yes, I forgot about this. Already following you back.