[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]
Re: [sdpd] Problems with Chi2 and WRp
<x-html>
<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.01//EN" "http://www.w3.org/TR/html4/strict.dtd";>
<html>
<head>
</head>
<body style="background-color: #ffffff;">
<!--~-|**|PrettyHtmlStartT|**|-~-->
<div id="ygrp-mlmsg" style="width:655px; position:relative;">
<div id="ygrp-msg" style="width: 490px; padding: 0 15px 0 0; float:left; z-index:1;">
<!--~-|**|PrettyHtmlEndT|**|-~-->
<div id="ygrp-text">
<p>Hello,<br>
I'd recommend you to think of physics rather than of statistics. Your <br>
structure is correct if you have accurate bond distances and angles and if <br>
the structure makes sense. If it is all OK, you may start bothering about <br>
chi^2 and all that bunch of Rfactors. There are plenty of tricks how to <br>
reduce statistical indicators to "acceptable" or "desired" values but the <br>
structure remains incorrect.<br>
Lubo<br>
<br>
On Tue, 11 Dec 2007, higorfav wrote:<br>
<br>
> Dear all,<br>
><br>
> I have a synchrotron powder diffraction file, and I've tried to make a<br>
> rietiveld refinement using a GSAS program.<br>
> The problem is that I'm just reaching Chi2 less than 1, which<br>
> according to theory means poor data, and I also couldn't reduce the WRp.<br>
> My best WRp was 11% for Chi2=0.1109 , but observing the fitting, it<br>
> shows a good refinement (i guess I couldn't post the graph!) . Could<br>
> someone help me please?<br>
><br>
> Thank you in advance.<br>
><br>
> Higor.<br>
><br>
><br>
><br>
><br>
> Yahoo! Groups Links<br>
><br>
><br>
><br>
><br>
</p>
</div>
<!--~-|**|PrettyHtmlStart|**|-~-->
<span width="1" style="color: white;">__._,_.___</span>
<!-- Start the section with Message In topic -->
<div id="ygrp-actbar">
<span class="left">
<a href="http://groups.yahoo.com/group/sdpd/message/2129;_ylc=X3oDMTM0YW04ODM0BF9TAzk3MzU5NzE0BGdycElkAzEwNTI1NDgEZ3Jwc3BJZAMxNzA1MDgzNDEyBG1zZ0lkAzIxMzAEc2VjA2Z0cgRzbGsDdnRwYwRzdGltZQMxMTk3NDA3MDQyBHRwY0lkAzIxMjk-";>
Messages in this topic </a> (<span class="bld">2</span>)
</span>
<a href="http://groups.yahoo.com/group/sdpd/post;_ylc=X3oDMTJwdnJuYTJpBF9TAzk3MzU5NzE0BGdycElkAzEwNTI1NDgEZ3Jwc3BJZAMxNzA1MDgzNDEyBG1zZ0lkAzIxMzAEc2VjA2Z0cgRzbGsDcnBseQRzdGltZQMxMTk3NDA3MDQy?act=reply&messageNum=2130";>
<span class="bld">
Reply </span> (via web post)
</a> |
<a href="http://groups.yahoo.com/group/sdpd/post;_ylc=X3oDMTJlOTRqNmdxBF9TAzk3MzU5NzE0BGdycElkAzEwNTI1NDgEZ3Jwc3BJZAMxNzA1MDgzNDEyBHNlYwNmdHIEc2xrA250cGMEc3RpbWUDMTE5NzQwNzA0Mg--"; class="bld">
Start a new topic </a>
</div>
<!------- Start Nav Bar ------>
<!-- |**|begin egp html banner|**| -->
<div id="ygrp-vitnav">
<a href="http://groups.yahoo.com/group/sdpd/messages;_ylc=X3oDMTJlY3QyaHF2BF9TAzk3MzU5NzE0BGdycElkAzEwNTI1NDgEZ3Jwc3BJZAMxNzA1MDgzNDEyBHNlYwNmdHIEc2xrA21zZ3MEc3RpbWUDMTE5NzQwNzA0Mg--";>Messages</a>
| <a href="http://groups.yahoo.com/group/sdpd/files;_ylc=X3oDMTJmN29zaGlyBF9TAzk3MzU5NzE0BGdycElkAzEwNTI1NDgEZ3Jwc3BJZAMxNzA1MDgzNDEyBHNlYwNmdHIEc2xrA2ZpbGVzBHN0aW1lAzExOTc0MDcwNDI-";>Files</a>
| <a href="http://groups.yahoo.com/group/sdpd/photos;_ylc=X3oDMTJldGM3bnYyBF9TAzk3MzU5NzE0BGdycElkAzEwNTI1NDgEZ3Jwc3BJZAMxNzA1MDgzNDEyBHNlYwNmdHIEc2xrA3Bob3QEc3RpbWUDMTE5NzQwNzA0Mg--";>Photos</a>
| <a href="http://groups.yahoo.com/group/sdpd/links;_ylc=X3oDMTJmYWcxcmpxBF9TAzk3MzU5NzE0BGdycElkAzEwNTI1NDgEZ3Jwc3BJZAMxNzA1MDgzNDEyBHNlYwNmdHIEc2xrA2xpbmtzBHN0aW1lAzExOTc0MDcwNDI-";>Links</a>
| <a href="http://groups.yahoo.com/group/sdpd/database;_ylc=X3oDMTJjdTRlNGo2BF9TAzk3MzU5NzE0BGdycElkAzEwNTI1NDgEZ3Jwc3BJZAMxNzA1MDgzNDEyBHNlYwNmdHIEc2xrA2RiBHN0aW1lAzExOTc0MDcwNDI-";>Database</a>
| <a href="http://groups.yahoo.com/group/sdpd/polls;_ylc=X3oDMTJmbWQxN3F2BF9TAzk3MzU5NzE0BGdycElkAzEwNTI1NDgEZ3Jwc3BJZAMxNzA1MDgzNDEyBHNlYwNmdHIEc2xrA3BvbGxzBHN0aW1lAzExOTc0MDcwNDI-";>Polls</a>
| <a href="http://groups.yahoo.com/group/sdpd/members;_ylc=X3oDMTJlMWNnaHEwBF9TAzk3MzU5NzE0BGdycElkAzEwNTI1NDgEZ3Jwc3BJZAMxNzA1MDgzNDEyBHNlYwNmdHIEc2xrA21icnMEc3RpbWUDMTE5NzQwNzA0Mg--";>Members</a>
| <a href="http://groups.yahoo.com/group/sdpd/calendar;_ylc=X3oDMTJkMHIxN2c2BF9TAzk3MzU5NzE0BGdycElkAzEwNTI1NDgEZ3Jwc3BJZAMxNzA1MDgzNDEyBHNlYwNmdHIEc2xrA2NhbARzdGltZQMxMTk3NDA3MDQy";>Calendar</a>
</div>
<!-- |**|end egp html banner|**| -->
<div id="ygrp-mkp">
<div id="hd">MARKETPLACE</div>
<div id="ads">
<div class="ad">
<hr size=1 noshade><a href="http://us.ard.yahoo.com/SIG=12m65oj4v/M=571476.11873916.12370328.11509771/D=groups/S=1705083412:MKP1/Y=YAHOO/EXP=1197414242/A=5086951/R=0/SIG=12k0vbbc9/*http://college-finder.net/index.cfm?key=yahoo_colfngrouptxt_11873916&c=CA152932587";>Earn your degree in as few as 2 years - Advance your career with an AS, BS, MS degree</a> - College-Finder.net. </div>
</div>
</div>
<!-- yahoo logo -->
<!-- |**|begin egp html banner|**| -->
<div id="ygrp-ft">
<a href="http://groups.yahoo.com/;_ylc=X3oDMTJkbHJnN2ZmBF9TAzk3MzU5NzE0BGdycElkAzEwNTI1NDgEZ3Jwc3BJZAMxNzA1MDgzNDEyBHNlYwNmdHIEc2xrA2dmcARzdGltZQMxMTk3NDA3MDQy";>
<img src="http://us.i1.yimg.com/us.yimg.com/i/yg/img/logo/ma_grp_160.gif"; height="15" width="106" border="0" alt="Yahoo! Groups"></a> <br>
<a href="http://groups.yahoo.com/group/sdpd/join;_ylc=X3oDMTJmZ2hvaWJ1BF9TAzk3MzU5NzE0BGdycElkAzEwNTI1NDgEZ3Jwc3BJZAMxNzA1MDgzNDEyBHNlYwNmdHIEc2xrA3N0bmdzBHN0aW1lAzExOTc0MDcwNDI-";>Change settings via the Web</a> (Yahoo! ID required) <br>
Change settings via email: <a href="mailto:sdpd-digest...@yahoogroups.com?subject=Email Delivery: Digest">Switch delivery to Daily Digest</a> | <a href = "mailto:sdpd-traditional...@yahoogroups.com?subject=Change Delivery Format: Traditional">Switch format to Traditional</a> <br>
<a href="http://groups.yahoo.com/group/sdpd;_ylc=X3oDMTJkNDMyNm9lBF9TAzk3MzU5NzE0BGdycElkAzEwNTI1NDgEZ3Jwc3BJZAMxNzA1MDgzNDEyBHNlYwNmdHIEc2xrA2hwZgRzdGltZQMxMTk3NDA3MDQy";>
Visit Your Group
</a> |
<a href="http://docs.yahoo.com/info/terms/";>
Yahoo! Groups Terms of Use </a> |
<a href="mailto:sdpd-unsubscribe...@yahoogroups.com?subject=";>
Unsubscribe </a>
</div> <!-- |**|end egp html banner|**| -->
</div> <!-- ygrp-msg -->
<!-- Sponsor -->
<!-- |**|begin egp html banner|**| -->
<div id="ygrp-sponsor" style="width:140px;float: left; clear: none; margin-left: 5px; background:white; margin-bottom:25px ;position:absolute; top:0; right: 0;">
<!-- Network content -->
<!-- Start vitality -->
<div id="ygrp-vital">
<div id="vithd">Recent Activity</div>
<ul style="list-style-type:none; padding: 0; margin: 2px 0;">
<li style="clear: both;">
<div class="ct" style="float: right;"><span style="display:none"> </span>1</div>
<div class="cat"><a href="http://groups.yahoo.com/group/sdpd/members;_ylc=X3oDMTJmMDNtZnU1BF9TAzk3MzU5NzE0BGdycElkAzEwNTI1NDgEZ3Jwc3BJZAMxNzA1MDgzNDEyBHNlYwN2dGwEc2xrA3ZtYnJzBHN0aW1lAzExOTc0MDcwNDI-";>New Members</a></div>
</li>
</ul>
<a href="http://groups.yahoo.com/group/sdpd;_ylc=X3oDMTJldGcwaDNpBF9TAzk3MzU5NzE0BGdycElkAzEwNTI1NDgEZ3Jwc3BJZAMxNzA1MDgzNDEyBHNlYwN2dGwEc2xrA3ZnaHAEc3RpbWUDMTE5NzQwNzA0Mg--";>
Visit Your Group </a>
</div>
<!-- Network content -->
<div id="nc">
<div class="ad">
<div id="hd1">Yahoo! Finance</div>
<p><a href="http://us.ard.yahoo.com/SIG=12jqskjfe/M=493064.10729649.11333340.8674578/D=groups/S=1705083412:NC/Y=YAHOO/EXP=1197414242/A=4507179/R=0/SIG=12de4rskk/*http://us.rd.yahoo.com/evt=50284/*http://finance.yahoo.com/personal-finance";>It's Now Personal</a></p>
<p>Guides, news,</p>
<p>advice & more.</p> </div>
<div class="ad">
<div id="hd1">Parenting Zone</div>
<p><a href="http://us.ard.yahoo.com/SIG=12j1ik1pf/M=493064.11804636.12264846.8674578/D=groups/S=1705083412:NC/Y=YAHOO/EXP=1197414242/A=5045822/R=0/SIG=11gsqr691/*http://advision.webevents.yahoo.com/parenting/";>Your home for</a></p>
<p>parenting information</p>
<p>on Yahoo! Groups.</p> </div>
<div class="ad">
<div id="hd1">Summer Shape-up</div>
<p><a href="http://us.ard.yahoo.com/SIG=12khk4t7a/M=493064.11675218.12153349.11323196/D=groups/S=1705083412:NC/Y=YAHOO/EXP=1197414242/A=4840956/R=0/SIG=11l77jq6u/*http://health.groups.yahoo.com/group/specialKgroup/";>on Yahoo! Groups</a></p>
<p>Trade weight loss</p>
<p>and swimsuit tips.</p> </div>
</div>
</div> <!-- |**|end egp html banner|**| -->
<div style="clear:both; color: #FFF; font-size:1px;">.</div>
</div> <img src="http://geo.yahoo.com/serv?s=97359714/grpId=1052548/grpspId=1705083412/msgId=2130/stime=1197407042/nc1=4507179/nc2=5045822/nc3=4840956"; width="1" height="1"> <br>
<span style="color: white;">__,_._,___</span>
<!--~-|**|PrettyHtmlEnd|**|-~-->
</body>
<!--~-|**|PrettyHtmlStart|**|-~-->
<head>
<style type="text/css">
<!--
#ygrp-mkp{
border: 1px solid #d8d8d8;
font-family: Arial;
margin: 14px 0px;
padding: 0px 14px;
}
#ygrp-mkp hr{
border: 1px solid #d8d8d8;
}
#ygrp-mkp #hd{
color: #628c2a;
font-size: 85%;
font-weight: bold;
line-height: 122%;
margin: 10px 0px;
}
#ygrp-mkp #ads{
margin-bottom: 10px;
}
#ygrp-mkp .ad{
padding: 0 0;
}
#ygrp-mkp .ad a{
color: #0000ff;
text-decoration: none;
}
-->
</style>
</head>
<head>
<style type="text/css">
<!--
#ygrp-sponsor #ygrp-lc{
font-family: Arial;
}
#ygrp-sponsor #ygrp-lc #hd{
margin: 10px 0px;
font-weight: bold;
font-size: 78%;
line-height: 122%;
}
#ygrp-sponsor #ygrp-lc .ad{
margin-bottom: 10px;
padding: 0 0;
}
-->
</style>
</head>
<head>
<style type="text/css">
<!--
#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-text{
font-family: Georgia;
}
#ygrp-text p{
margin: 0 0 1em 0;
}
#ygrp-tpmsgs{
font-family: Arial;
clear: both;
}
#ygrp-vitnav{
padding-top: 10px;
font-family: Verdana;
font-size: 77%;
margin: 0;
}
#ygrp-vitnav a{
padding: 0 1px;
}
#ygrp-actbar{
clear: both;
margin: 25px 0;
white-space:nowrap;
color: #666;
text-align: right;
}
#ygrp-actbar .left{
float: left;
white-space:nowrap;
}
.bld{font-weight:bold;}
#ygrp-grft{
font-family: Verdana;
font-size: 77%;
padding: 15px 0;
}
#ygrp-ft{
font-family: verdana;
font-size: 77%;
border-top: 1px solid #666;
padding: 5px 0;
}
#ygrp-mlmsg #logo{
padding-bottom: 10px;
}
#ygrp-vital{
background-color: #e0ecee;
margin-bottom: 20px;
padding: 2px 0 8px 8px;
}
#ygrp-vital #vithd{
font-size: 77%;
font-family: Verdana;
font-weight: bold;
color: #333;
text-transform: uppercase;
}
#ygrp-vital ul{
padding: 0;
margin: 2px 0;
}
#ygrp-vital ul li{
list-style-type: none;
clear: both;
border: 1px solid #e0ecee;
}
#ygrp-vital ul li .ct{
font-weight: bold;
color: #ff7900;
float: right;
width: 2em;
text-align:right;
padding-right: .5em;
}
#ygrp-vital ul li .cat{
font-weight: bold;
}
#ygrp-vital a{
text-decoration: none;
}
#ygrp-vital a:hover{
text-decoration: underline;
}
#ygrp-sponsor #hd{
color: #999;
font-size: 77%;
}
#ygrp-sponsor #ov{
padding: 6px 13px;
background-color: #e0ecee;
margin-bottom: 20px;
}
#ygrp-sponsor #ov ul{
padding: 0 0 0 8px;
margin: 0;
}
#ygrp-sponsor #ov li{
list-style-type: square;
padding: 6px 0;
font-size: 77%;
}
#ygrp-sponsor #ov li a{
text-decoration: none;
font-size: 130%;
}
#ygrp-sponsor #nc{
background-color: #eee;
margin-bottom: 20px;
padding: 0 8px;
}
#ygrp-sponsor .ad{
padding: 8px 0;
}
#ygrp-sponsor .ad #hd1{
font-family: Arial;
font-weight: bold;
color: #628c2a;
font-size: 100%;
line-height: 122%;
}
#ygrp-sponsor .ad a{
text-decoration: none;
}
#ygrp-sponsor .ad a:hover{
text-decoration: underline;
}
#ygrp-sponsor .ad p{
margin: 0;
}
o{font-size: 0; }
.MsoNormal{
margin: 0 0 0 0;
}
#ygrp-text tt{
font-size: 120%;
}
blockquote{margin: 0 0 0 4px;}
.replbq{margin:4}
-->
</style>
</head>
<!--~-|**|PrettyHtmlEnd|**|-~-->
</html><!--End group email -->
</x-html>