The core of Rietveld refinement is REFINING the crystallographic parameters
to fit the pattern. That was the great innovation. Is that done here ? To
calculate various patterns to refine phase composition you necessarily need
models of the crystal structures. But all refinements of powder patterns
Hard disagree here.
You're using crystallographic parameters to calculate the (intensities and
positions of the) pattern.
To me, that's the core of Rietveld refinement.
You need to apply a peak shape model. Why not apply a model from which you
can extract crystallite parameters?
QPA can then
Apart from the record number of atoms, phases, parameters, citations etc
used to describe just 3 broad peaks, I object to this kind of refinement
being called "Rietveld refinement". Luca called it "Rietveld-like" in MAUD,
which was used here, but even that is wrong. The term "Rietveld refinement"
Co + Fe on Cu = nice
Best
Petr
Dne 12.01.2024 v 12:57 Le Bail Armel napsal(a):
Hi,
A good candidate for the "worst Rietveld refinement of the year" award :
https://pubpeer.com/publications/12069A6AD9D5D34F26031F34705D06
Even the difference pattern is totally fabricated.
Best
Armel
That is impressive, but I'm sorry to say that I have seen worse. EM images
though, not diffraction patterns.
From: rietveld_l-requ...@ill.fr On Behalf Of Le
Bail Armel
Sent: fredag 12. januar 2024 12:57
To: Rietveld_L
Subject: Misconduct
Hi,
A good candidate for the "worst Rietveld
Hi,A good candidate for the "worst Rietveld refinement of the year" award :https://pubpeer.com/publications/12069A6AD9D5D34F26031F34705D06Even the difference pattern is totally fabricated.BestArmel
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