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<p class="MsoNormal"><span style="font-size:12.0pt">wR is the same as Rwp, as used elsewhere. Rp is not a very good metric, IMO.
<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:12.0pt"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:12.0pt">The rest of this is not an easy question to answer. All of the terms you mention are related and any can be used to compare the quality of different to a set of data. Determining the overall quality of a fit
is a more difficult task and requires more than use of a fit metric. This article discusses that in more depth:
<a href="https://urldefense.us/v3/__https://www.researchgate.net/publication/245022853_R_Factors_in_Rietveld_Analysis_How_Good_is_Good_Enough__;!!G_uCfscf7eWS!fgv_fqONntGnRwFZrhVFPLIsI8Os7eozD9G4aSI3IEqn_EWKvVFZKWIUGTH4W60Qep0RUYxhj-RR66E$">
https://www.researchgate.net/publication/245022853_R_Factors_in_Rietveld_Analysis_How_Good_is_Good_Enough</a><o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:12.0pt"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:12.0pt">Brian<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:12.0pt"><o:p> </o:p></span></p>
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<p class="MsoNormal" style="margin-bottom:12.0pt"><b><span style="font-size:12.0pt;color:black">From:
</span></b><span style="font-size:12.0pt;color:black">GSAS-II <gsas-ii-bounces@aps.anl.gov> on behalf of Fajar I Pambudi via GSAS-II <gsas-ii@aps.anl.gov><br>
<b>Date: </b>Monday, December 23, 2024 at 7:16</span><span style="font-size:12.0pt;font-family:"Arial",sans-serif;color:black"> </span><span style="font-size:12.0pt;color:black">AM<br>
<b>To: </b>gsas-ii@aps.anl.gov <gsas-ii@aps.anl.gov><br>
<b>Subject: </b>[GSAS-II] Residual after last refinement in the covariance tab (wR)<o:p></o:p></span></p>
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<p class="MsoNormal" style="mso-line-height-alt:.75pt"><span style="font-size:1.0pt;color:white">Dear GSAS II experts, I am learning GSAS II. I am trying to perform the Le Bail fit using GSAS II for my XRD data. In the covariance tab, there are several residuals
after the last refinement. is it correct that the wR in here is similar to<o:p></o:p></span></p>
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<p class="MsoNormal" style="background:#D0D8DC"><span style="font-size:12.0pt;color:black"> </span><span style="font-size:12.0pt"><o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt">Dear GSAS II experts,<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt"><o:p> </o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt">I am learning GSAS II.<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt">I am trying to perform the Le Bail fit using GSAS II for my XRD data. In the covariance tab, there are several residuals after the last refinement. is it correct that the wR in here is similar to Rwp that
is used in other programs? <o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt">In the covariance, we have wR, chi squared, GOF and reduced chi squared. Could you please inform me which residual is important when using GSAS II?<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt">In other programs and from many scientific articles, they use mostly Rwp and Rp.<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt"><o:p> </o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt">Thank you for the insight. Really appreciate the help.<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt"><o:p> </o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt">Best regards<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt">pambudi<o:p></o:p></span></p>
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