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When trying to fit TOF neutron data using LeBail fits, the scriptable interface won’t actually refine the sigma or gamma terms, but will try to fit alpha and beta. This seems to be due to the column location definitions in GSASIIscriptable.py.<br class="">
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<div class="">Adding alp and bet in the function definition at line 4023</div>
<div class="">AND</div>
Placing the following around line 4050 in the scriptable interface seems to fix this:
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<span style="color: #aa0d91" class="">for</span> i <span style="color: #aa0d91" class="">
in</span> peaklist:</div>
<div style="margin: 0px; font-stretch: normal; line-height: normal; font-family: Menlo; color: rgb(28, 0, 207); background-color: rgb(255, 255, 255);" class="">
<span style="" class=""> </span><span style="color: #aa0d91" class="">if</span><span style="" class="">
</span>'C'<span style="" class=""> </span><span style="color: #aa0d91" class="">in</span><span style="" class=""> self.data[</span>'Instrument Parameters'<span style="" class="">][</span>0<span style="" class="">][</span>'Type'<span style="" class="">][</span>0<span style="" class="">]:</span></div>
<div style="margin: 0px; font-stretch: normal; line-height: normal; font-family: Menlo; background-color: rgb(255, 255, 255);" class="">
<span style="color: #aa0d91" class="">for</span> var,j <span style="color: #aa0d91" class="">
in</span> [(area,<span style="color: #1c00cf" class="">3</span>),(pos,<span style="color: #1c00cf" class="">1</span>),(sig,<span style="color: #1c00cf" class="">5</span>),(gam,<span style="color: #1c00cf" class="">7</span>)]:</div>
<div style="margin: 0px; font-stretch: normal; line-height: normal; font-family: Menlo; background-color: rgb(255, 255, 255);" class="">
<span style="color: #aa0d91" class="">if</span> var <span style="color: #aa0d91" class="">
is</span> <span style="color: #aa0d91" class="">not</span> <span style="color: #aa0d91" class="">
None</span>:</div>
<div style="margin: 0px; font-stretch: normal; line-height: normal; font-family: Menlo; background-color: rgb(255, 255, 255);" class="">
peaks[<span style="color: #1c00cf" class="">'peaks'</span>][i][j] = var</div>
<div style="margin: 0px; font-stretch: normal; line-height: normal; font-family: Menlo; background-color: rgb(255, 255, 255);" class="">
<span style="color: #aa0d91" class="">else</span>:</div>
<div style="margin: 0px; font-stretch: normal; line-height: normal; font-family: Menlo; background-color: rgb(255, 255, 255);" class="">
<span style="color: #aa0d91" class="">for</span> var,j <span style="color: #aa0d91" class="">
in</span> [(area,<span style="color: #1c00cf" class="">3</span>),(pos,<span style="color: #1c00cf" class="">1</span>),(alp,<span style="color: #1c00cf" class="">5</span>),(bet,<span style="color: #1c00cf" class="">7</span>),(sig,<span style="color: #1c00cf" class="">9</span>),(gam,<span style="color: #1c00cf" class="">11</span>)]:</div>
<div style="margin: 0px; font-stretch: normal; line-height: normal; font-family: Menlo; background-color: rgb(255, 255, 255);" class="">
<span style="color: #aa0d91" class="">if</span> var <span style="color: #aa0d91" class="">
is</span> <span style="color: #aa0d91" class="">not</span> <span style="color: #aa0d91" class="">
None</span>:</div>
<div style="margin: 0px; font-stretch: normal; line-height: normal; font-family: Menlo; background-color: rgb(255, 255, 255);" class="">
peaks[<span style="color: #1c00cf" class="">'peaks'</span>][i][j] = var</div>
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