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

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

Hi,

it would be probably useful if you simulate first your
"*.pcr" file. For that just change the first parameter
Jobtype (0 becomes 2). and run the program.

then make appear your data file superimposed to your
calculated file. You can change scale factors in
Winplotr for making then at a same order of magnitude.
If your simulated patterns seems to be lost in the
background, you have to put the background to zero or
increase the scale factor...

if green bars indicating reflection positions and
calulated peaks are totally moved from observed
patterns, you should have a look to your original
structural data (is the phase well identified ?, see
sdpd database) and check if your Zero-shift is zero
(in a first step) and put the values of wavelength and
cell parameters in the same unit (angstroems, not nm) 


Bye

guilhem

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