Re: [sdpd] Fullprof: No reflections found---Check your input data

[Guilhem DEZANNEAU <guilhemdezanneau...@yahoo.fr>]

"I got an error message while trying to refine by
Fullprof says: No reflections found---Check your input
data. Could you please tell which part of input data
should i check?
Thank you very much!
Sincerely,
Xia Changtai"

Hi,

few words more...

as Armel Le bail wrote you, your initial cell
parameters are probably wrong, which make the program
decrease the in tensity of your reflections till
disappearing in the background...You could first
determine them by a cell refinement program like
CELREF (see ccp14)...and then use the obtained values
into your *.pcr file, or even adjust them by hand
(Winplotr could help you to see in which direction you
should go!!!)

In any case, the message of Fullprof looks like an
error message, but it is not...in the sense that  your
original *.pcr file has been modified...In this case,
you should change the scale factor that has probably
gone to 1.0E-14, and cell parameters...note that in a
first refinement, it would be better make varying only
scale factor, cell parameters, background, zero-shift,
assuming that your profile function is reasonable...

One article that may be usefull:
"rietveld refinement guidelines"
McCusker et al., J. Appl. Cryst. 32 (1999) 36-50

Regards

Guilhem DEZANNEAU
Dept Electronica, Universitat de Barcelona,
Marti i Franquès, 1
08028 Barcelona




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