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Re: [sdpd] Jana Error: Le Bail decomposition wasn't successfuul
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- Subject: Re: [sdpd] Jana Error: Le Bail decomposition wasn't successfuul
- From: Armel Le Bail <xtal...@noos.fr>
- Date: Tue, 03 Jul 2012 17:34:51 +0200
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<p>Hi,<br>
<br>
Not being a Jana user, I can't say exactly.<br>
<br>
But as the author of the method, I used to solve structures from<br>
peak intensities extracted from calculations using a manually<br>
estimated background. Background refinement can come later<br>
during the Rietveld structure refinement.<br>
<br>
At least, make a few cycles and attain some low Rp and Rwp<br>
values before to try to refine the background, if you wish<br>
absolutely to do so.<br>
<br>
Verify also your starting cell parameters (since they influence<br>
directly your peak positions) and space group, and wavelength, and etc.<br>
<br>
Should work...<br>
<br>
Regards,<br>
<br>
Armel<br>
<br>
At 17:10 03/07/2012 +0800, you wrote:<br>
><br>
><br>
>Dear all:<br>
><br>
>I got the error message "Le Bail decomposition wasn't sucessful, check <br>
>background and Bragg peak positions" when I tried to refine background of <br>
>my X-ray powder data.<br>
><br>
>Please teach me what should I check.<br>
>Background ? I am just trying to refine it.<br>
>Bragg peak positions? I believe my structure information were correct.<br>
><br>
>Thank you very much for your kind help!<br>
>BR<br>
>ike<br>
<br>
</p>
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