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[sdpd] Re: Background
- To: sdpd...@yahoogroups.com
- Subject: [sdpd] Re: Background
- From: "L_Solovyov" <l_solovyov...@yahoo.com>
- Date: Tue, 30 Apr 2013 03:52:56 -0000
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<p>Dear Sabrina,<br>
<br>
An optimal number of variable background coefficients depends on the background complexity (which is not obvious normally), the data quality, i.e. resolution, counting statistics etc., and the background function type. For high-quality data, a big number of variables can be refined more-or-less safely with orthogonal series such as the Chebyshev polynomials. For some cases even 80 coeffs may be not enough.<br>
To choose an optimal number you may start from a minimum of, say, 6 terms and then increase it one by one until the refinement is stable, the e.s.u. values decrease and the structural parameters, such as distances, angles, thermal parameters etc., remain reasonable.<br>
Alternatively, you may use DDM (as was suggested already) where the background refinement is optional.<br>
<br>
Best regards,<br>
Leonid<br>
<br>
*******************************************************<br>
Leonid A. Solovyov<br>
Institute of Chemistry and Chemical Technology<br>
660049, K. Marx 42, Krasnoyarsk, Russia<br>
<a href="http://sites.google.com/site/solovyovleonid";>http://sites.google.com/site/solovyovleonid</a><br>
*******************************************************<br>
<br>
--- In <a href="mailto:sdpd%40yahoogroups.com";>sdpd...@yahoogroups.com</a>, sabrina belkhiri <belkhirisab...@...> wrote:<br>
><br>
> Dear SDPD groups,<br>
> <br>
> I have a simple question :<br>
> <br>
> During the refinement of my structure which contains 19 atomes among them 6 heavy atomes, I refined 150 parameters, including 80 coefficients of the background in order to get a good fitting. my question is :<br>
> <br>
> Is it correct in the Rietveld refinement to use 80 coefficients of the background ? because It seems to higher.<br>
> <br>
> Thank you to answer me because I really need this answer, it's so important for me.<br>
> <br>
> [Non-text portions of this message have been removed]<br>
><br>
<br>
</p>
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#reco-category {
font-size: 77%;
}
#reco-desc {
font-size: 77%;
}
.replbq {
margin: 4px;
}
#ygrp-actbar div a:first-child {
/* border-right: 0px solid #000;*/
margin-right: 2px;
padding-right: 5px;
}
#ygrp-mlmsg {
font-size: 13px;
font-family: Arial, helvetica,clean, sans-serif;
*font-size: small;
*font: x-small;
}
#ygrp-mlmsg table {
font-size: inherit;
font: 100%;
}
#ygrp-mlmsg select, input, textarea {
font: 99% Arial, Helvetica, clean, sans-serif;
}
#ygrp-mlmsg pre, code {
font:115% monospace;
*font-size:100%;
}
#ygrp-mlmsg * {
line-height: 1.22em;
}
#ygrp-mlmsg #logo {
padding-bottom: 10px;
}
#ygrp-msg p a {
font-family: Verdana;
}
#ygrp-msg p#attach-count span {
color: #1E66AE;
font-weight: 700;
}
#ygrp-reco #reco-head {
color: #ff7900;
font-weight: 700;
}
#ygrp-reco {
margin-bottom: 20px;
padding: 0px;
}
#ygrp-sponsor #ov li a {
font-size: 130%;
text-decoration: none;
}
#ygrp-sponsor #ov li {
font-size: 77%;
list-style-type: square;
padding: 6px 0;
}
#ygrp-sponsor #ov ul {
margin: 0;
padding: 0 0 0 8px;
}
#ygrp-text {
font-family: Georgia;
}
#ygrp-text p {
margin: 0 0 1em 0;
}
#ygrp-text tt {
font-size: 120%;
}
#ygrp-vital ul li:last-child {
border-right: none !important;
}
-->
</style>
</head>
<!--~-|**|PrettyHtmlEnd|**|-~-->
</html>
<!-- end group email -->
</x-html>