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RE: [sdpd] Re: Crystal structure solution and neutron Time of flight data
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<p>Hi,<br>
<br>
Sure, my comment about problems due to huge<br>
overlapping cancels if there is no overlapping, or<br>
somewhere in between huge and none, possibly.<br>
<br>
Armel<br>
<br>
At 13:34 23/08/2007 +0100, you wrote:<br>
>Hi,<br>
><br>
>Can I just point out that sweeping generalisations about<br>
>time-of-flight data do no-one any favours. The real issue<br>
>is the diffractometer, not the time-of-flight source. There are plenty<br>
>of medium-resolution constant wavelength powder neutron diffractometers<br>
>around too.<br>
><br>
>The high-resolution powder diffractometer (HRPD) at the ISIS<br>
>time-of-flight source has a resolution (delta_d / d) in backscattering<br>
>of 5 x 10-4 which means that it it delivers extremely well-resolved<br>
>peaks<br>
>across a substantial d-spacing range. It has been used in<br>
>'countless' structure refinements and numerous structure determinations,<br>
>including ones based on direct methods and global optimisation methods.<br>
><br>
>Admittedly, it has only been in operation for the last 22 years, so<br>
>perhaps<br>
>some people have not yet heard of it, let alone used it.....<br>
><br>
>Cheers,<br>
><br>
>Kenneth<br>
><br>
><br>
><br>
>-----Original Message-----<br>
>From: <a href="mailto:sdpd%40yahoogroups.com";>sdpd...@yahoogroups.<wbr>com</a> [mailto:<a href="mailto:sdpd%40yahoogroups.com";>sdpd...@yahoogroups.<wbr>com</a>] On Behalf Of<br>
>Armel Le Bail<br>
>Sent: 23 August 2007 09:15<br>
>To: <a href="mailto:sdpd%40yahoogroups.com";>sdpd...@yahoogroups.<wbr>com</a><br>
>Subject: [sdpd] Re: Crystal structure solution and neutron Time of<br>
>flight data<br>
><br>
>Hi,<br>
><br>
>Looking at ToF data, one sees a few isolated peaks at large d(A) values<br>
>and soon a massive peak overlapping for the smallest d(A). The<br>
>difficulty to solve the structure comes from this huge overlapping (if<br>
>any), not from the peak asymmetry in itself (though it may contribute to<br>
>enlarge the overlapping)<wbr>.<br>
><br>
>Armel<br>
><br>
><br>
><br>
>Yahoo! Groups Links<br>
><br>
><br>
><br>
<br>
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