<html xmlns:o="urn:schemas-microsoft-com:office:office" xmlns:w="urn:schemas-microsoft-com:office:word" xmlns:m="http://schemas.microsoft.com/office/2004/12/omml" xmlns="http://www.w3.org/TR/REC-html40">
<head>
<meta http-equiv="Content-Type" content="text/html; charset=utf-8">
<meta name="Generator" content="Microsoft Word 15 (filtered medium)">
<style><!--
/* Font Definitions */
@font-face
{font-family:"Cambria Math";
panose-1:2 4 5 3 5 4 6 3 2 4;}
@font-face
{font-family:Aptos;
panose-1:2 11 0 4 2 2 2 2 2 4;}
/* Style Definitions */
p.MsoNormal, li.MsoNormal, div.MsoNormal
{margin:0in;
font-size:11.0pt;
font-family:"Aptos",sans-serif;}
span.EmailStyle20
{mso-style-type:personal-reply;
font-family:"Aptos",sans-serif;
color:windowtext;}
.MsoChpDefault
{mso-style-type:export-only;
font-size:10.0pt;
mso-ligatures:none;}
@page WordSection1
{size:8.5in 11.0in;
margin:1.0in 1.0in 1.0in 1.0in;}
div.WordSection1
{page:WordSection1;}
--></style>
</head>
<body lang="EN-US" link="#467886" vlink="#96607D" style="word-wrap:break-word">
<div class="WordSection1">
<p class="MsoNormal"><span style="font-size:12.0pt">Hi Samantha, <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"> There is only one format that can be used to read data that is recorded in steps of Q and that implemented in the imports\G2pwd_xye.py importer. If the file extension is .qchi, then there should be a header
with Q and then the wavelength separated by a space. Alternately if extension .qye is used, then the header line should be #Q <wave> (or ‘Q … or !Q …). Subsequent lines will contain Q, intensity and optionally sigma(intensity), one set of 2 or 3 values per
line. Values can be separated by spaces, a comma or a semicolon. <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 values are converted from Q to 2theta and thus a wavelength is required.
<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>
<div id="mail-editor-reference-message-container">
<div>
<div>
<div style="border:none;border-top:solid #B5C4DF 1.0pt;padding:3.0pt 0in 0in 0in">
<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 Clarke, Samantha M. via GSAS-II <gsas-ii@aps.anl.gov><br>
<b>Date: </b>Thursday, February 13, 2025 at 6:43</span><span style="font-size:12.0pt;font-family:"Arial",sans-serif;color:black"> </span><span style="font-size:12.0pt;color:black">PM<br>
<b>To: </b>gsas-ii@aps.anl.gov <gsas-ii@aps.anl.gov><br>
<b>Subject: </b>[GSAS-II] Import powder data in Q<o:p></o:p></span></p>
</div>
<div>
<p class="MsoNormal" style="mso-line-height-alt:.75pt"><span style="font-size:1.0pt;color:white">Hello! In another program, I’ve exported my powder diffraction data in Q rather than 2-theta. It is an xy file where the first column is Q and the second is I.
I’m wondering if anyone knows how to import this data into GSAS-II. It<o:p></o:p></span></p>
</div>
<div>
<p class="MsoNormal" style="mso-line-height-alt:.75pt"><span style="font-size:1.0pt;color:white">ZjQcmQRYFpfptBannerStart<o:p></o:p></span></p>
</div>
<div style="border:none;border-top:solid #90A4AE 3.0pt;padding:0in 0in 0in 0in;display:block!important;text-align:left!important;margin:0px!important;padding:16px!important;border-radius:4px!important;min-width:200px!important;background-color:#D0D8DC!important;border-top:#90a4ae!important" id="pfptBanner7ldfsx5">
<div id="pfptBanner7ldfsx5">
<div id="pfptBanner7ldfsx5">
<p class="MsoNormal" style="line-height:13.5pt;background:#D0D8DC"><b><span style="font-size:12.0pt;font-family:"Arial",sans-serif;color:black">This Message Is From an External Sender
<o:p></o:p></span></b></p>
</div>
<div id="pfptBanner7ldfsx5">
<p class="MsoNormal" style="line-height:13.5pt;background:#D0D8DC"><span style="font-size:12.0pt;font-family:"Arial",sans-serif;color:black">This message came from outside your organization.
<o:p></o:p></span></p>
</div>
</div>
<div>
<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>
</div>
</div>
<div>
<p class="MsoNormal" style="mso-line-height-alt:.75pt"><span style="font-size:1.0pt;color:white">ZjQcmQRYFpfptBannerEnd<o:p></o:p></span></p>
</div>
<div>
<p class="MsoNormal"><span style="font-family:"Arial",sans-serif">Hello! </span><o:p></o:p></p>
<p class="MsoNormal"><span style="font-family:"Arial",sans-serif"> </span><o:p></o:p></p>
<p class="MsoNormal"><span style="font-family:"Arial",sans-serif">In another program, I’ve exported my powder diffraction data in Q rather than 2-theta. It is an xy file where the first column is Q and the second is I. I’m wondering if anyone knows how to import
this data into GSAS-II. It seems like by default, the data is imported as 2-theta.
</span><o:p></o:p></p>
<p class="MsoNormal"><span style="font-family:"Arial",sans-serif"> </span><o:p></o:p></p>
<p class="MsoNormal"><span style="font-family:"Arial",sans-serif">Thanks,</span><o:p></o:p></p>
<p class="MsoNormal"><span style="font-family:"Arial",sans-serif">Sam </span><o:p></o:p></p>
<p class="MsoNormal"><span style="font-family:"Arial",sans-serif"> </span><o:p></o:p></p>
<p class="MsoNormal"><b><span style="font-size:10.5pt;font-family:"Arial",sans-serif;color:#404040">Samantha M. Clarke, Ph.D.</span></b><o:p></o:p></p>
<p class="MsoNormal"><b><span style="font-size:9.0pt;font-family:"Arial",sans-serif;color:#404040">Staff Scientist</span></b><o:p></o:p></p>
<p class="MsoNormal"><span style="font-size:9.0pt;font-family:"Arial",sans-serif;color:#404040">Lawrence Livermore National Laboratory</span><o:p></o:p></p>
<p class="MsoNormal"><span style="font-size:9.0pt;font-family:"Arial",sans-serif;color:#404040">Physical and Life Sciences Directorate</span><o:p></o:p></p>
</div>
</div>
</div>
</div>
</div>
</body>
</html>