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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 &#43;0100, you wrote:<br>
&gt;Hi,<br>
&gt;<br>
&gt;Can I just point out that sweeping generalisations about<br>
&gt;time-of-flight data do no-one any favours.  The real issue<br>
&gt;is the diffractometer, not the time-of-flight source.  There are plenty<br>
&gt;of medium-resolution constant wavelength powder neutron diffractometers<br>
&gt;around too.<br>
&gt;<br>
&gt;The high-resolution powder diffractometer (HRPD) at the ISIS<br>
&gt;time-of-flight source has a resolution (delta_d / d) in backscattering<br>
&gt;of 5 x 10-4 which means that it it delivers extremely well-resolved<br>
&gt;peaks<br>
&gt;across a substantial d-spacing range.  It has been used in<br>
&gt;'countless' structure refinements and numerous structure determinations,<br>
&gt;including ones based on direct methods and global optimisation methods.<br>
&gt;<br>
&gt;Admittedly, it has only been in operation for the last 22 years, so<br>
&gt;perhaps<br>
&gt;some people have not yet heard of it, let alone used it.....<br>
&gt;<br>
&gt;Cheers,<br>
&gt;<br>
&gt;Kenneth<br>
&gt;<br>
&gt;<br>
&gt;<br>
&gt;-----Original Message-----<br>
&gt;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>
&gt;Armel Le Bail<br>
&gt;Sent: 23 August 2007 09:15<br>
&gt;To: <a href="mailto:sdpd%40yahoogroups.com";>sdpd...@yahoogroups.<wbr>com</a><br>
&gt;Subject: [sdpd] Re: Crystal structure solution and neutron Time of<br>
&gt;flight data<br>
&gt;<br>
&gt;Hi,<br>
&gt;<br>
&gt;Looking at ToF data, one sees a few isolated peaks at large d(A) values<br>
&gt;and soon a massive peak overlapping for the smallest d(A). The<br>
&gt;difficulty to solve the structure comes from this huge overlapping (if<br>
&gt;any), not from the peak asymmetry in itself (though it may contribute to<br>
&gt;enlarge the overlapping)<wbr>.<br>
&gt;<br>
&gt;Armel<br>
&gt;<br>
&gt;<br>
&gt;<br>
&gt;Yahoo! Groups Links<br>
&gt;<br>
&gt;<br>
&gt;<br>
<br>
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