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RE: [sdpd] Question about Data collection for Rietveld
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<p>I would just like to add a plug for the variable counting time (see Ian<br>
Madsen reference sometime in about 1992) which is easy and can really<br>
improve your data for full Rietveld fits. I have been out of this field for<br>
about 10 years now, so there may be something even more clever, but VCT<br>
worked wonders for lab XRD data for me.<br>
<br>
Oh, yea, please consider your head bitten off. <br>
<br>
Alex Y<br>
_______________________________<br>
Dr. Alexandre (Alex) F. T. Yokochi<br>
Associate Professor of Chemical Engineering<br>
Laboratory for innovative Reaction Engineering for Materials and<br>
Sustainability (iREMS lab)<br>
School of Chemical, Biological and Environmental Engineering<br>
Oregon State University<br>
Corvallis, OR 97331 - 2702<br>
<br>
-----Original Message-----<br>
From: <a href="mailto:sdpd%40yahoogroups.com";>sdpd...@yahoogroups.com</a> [mailto:<a href="mailto:sdpd%40yahoogroups.com";>sdpd...@yahoogroups.com</a>] On Behalf Of Daniel<br>
M. Toebbens<br>
Sent: Monday, October 24, 2011 7:43 AM<br>
To: <a href="mailto:sdpd%40yahoogroups.com";>sdpd...@yahoogroups.com</a><br>
Subject: Re: [sdpd] Question about Data collection for Rietveld<br>
<br>
Dear Xu Jun,<br>
<br>
a fast answer, before some oldtimer snaps an bites your head off for asking<br>
FAQs:<br>
<br>
On 10/24/2011 4:07 PM, ?? wrote:<br>
<br>
which kind of data is proper for Rietveld refinement? It is old topic. ;-)<br>
<br>
specifically, If I use the home diffractometer with step size 0.02 Cu Ka<br>
doublet, how can I determine counting time, 5s or 20s...? In other words,<br>
What kind of intensity is sufficient? and what about the data range?<br>
<br>
The answer to this question depends very much on the kind of information you<br>
want to get from your refinement. As a rough guide: A step size of 0.02°<br>
seems to high, unless your peaks are quite broad. Rule of thumb is 10 data<br>
points within FWHM. For the range - as low as possible for indexing, so that<br>
no low-angle peaks are lost. As high as possible for refinement, since this<br>
region is sensitive to small structural changes. Any region with observable<br>
peaks should always be measured. And intensity: There used to be a rule of<br>
thumb about 10,000 counts in the highest peak. But with modern detectors in<br>
the competition, this is probably not enough nowadays.<br>
<br>
Daniel Többens<br>
<br>
________________________________<br>
<br>
Helmholtz-Zentrum Berlin für Materialien und Energie GmbH<br>
<br>
Mitglied der Hermann von Helmholtz-Gemeinschaft Deutscher Forschungszentren<br>
e.V.<br>
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<br>
[Non-text portions of this message have been removed]<br>
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