I know that refining the atoms positions is ´´too much´´, exagerated. But is
the only way I can make the calculated DRX pattern fit with the measured
one. There must a problem in the instrument details since I´m using
Fundamental Parameters (FP) for peak shape, the values I put in the
instrumen
Leandro
Not sure what the purpose of your refinement is but if it's quantification
then your results would probably be in error to a large extent.
The references given by Alan Hewat and Lubo Smrcok is probably a good
starting point.
Data quality and model errors typically mean that atomic positi
Leandro,
You probably should consult the references suggested by Alan Hewat and Reinhard
Kleeberg before you read anything into your "reasonable" Rwp. Kaolinite is
grossly over-parametized in your refinement strategy. If you are stuck with
TOPAS, you may want to contact Arnt Kern (Bruker) abo
Ok, I´m starting to have sucess in the kaolinite refinement, the
quantification is giving me reasonable values. I´m refining the thermal
factors, all the atoms positions in the kaolinite, the lattice parameters
and the cystallite size. Lattice parameters and crystallite size are giving
me very
Thanks everyone. The liveplot way is very simple... but so am I, so I
like it very much.
Jo
From: Leopoldo Suescun [mailto:[EMAIL PROTECTED]
Sent: 15 March 2007 15:08
To: rietveld_l@ill.fr
Subject: RE: Exporting GSAS powplot data
Dear Jo,
Works ver
Dear Jo,
Works very nicely in LIVEPLOT but you can still do it in POWPLOT. After you
choose your graphic output (any of them would be the same), the next screen
offers option A which is an ascii file written using the selected options.
If you have only one histogram you will still need to select
You can also export from liveplot in a few different formats
including .csv for use in a spreadsheet. I am open to suggestions on
other ASCII formats for data export -- but be prepared to research
that format so you can tell me exactly what needs to be written.
Brian
On Mar 15, 2007, at 8:
Many thanks, tried using it and looked at the manual but I can't seem to work
it. Where does the info get dumped?
Cheers
jo
From: Davide Levy [mailto:[EMAIL PROTECTED]
Sent: 15 March 2007 13:37
To: rietveld_l@ill.fr
Subject: R: Exporting GSAS powplot
Hi
the progam is HSTDMP. you can find it in RESULT menu of EXPGUI
Davide
_
Da: Duncan, Jo [mailto:[EMAIL PROTECTED]
Inviato: giovedì 15 marzo 2007 14.21
A: rietveld_l@ill.fr
Oggetto: Exporting GSAS powplot data
Hello RR people. How can I extract the information in powplot (in GSAS)
Hello RR people. How can I extract the information in powplot (in GSAS) for use
in another package e.g. excel ? i.e. how can I get the x and y values of
Refined pattern, histogram and residual?
Many thanks
Jo
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