PSI sics-cvs-psi-2006
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@@ -14,27 +14,11 @@ to be solved are:
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<li>Measure a couple of reflections.
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<li>Furthermore there are some specialities.
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</ul>
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There are two ways to achieve all this:
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The older way uses some built in SICS functionality plus some external
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programs inherited from the ILL. This is called the ILL operation.
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Then a complete
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four circle package called DIFRAC from P. White and Eric Gabe was
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integrated into SICS.
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This is The Difrac way of operation.
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</p>
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<h2>DIFRAC</h2>
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<p>
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The DIFRAC commands are accessed by prepending the difrac commands
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with <b>dif</b>. For example: "dif td" calls the difrac td
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command. For more information on DIFRAC commands see the separate
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<a href="diftrics.htm">DIFRAC manual</a>.
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</p>
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<h2>ILL operation</h2>
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<h3>Locate Reflections</h3>
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<p>
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If you know x-ray single crystal diffractometers you'll expect sophisticated
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reflection search procedures here. Nothing is available in this field in
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reflection search procedures here. Little is available in this field in
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SICS. It was deemed inapropriate for neutron research. The first reflections
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must be found by hand. Something which may help in this is a quick scan
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facility which allows to run a motor and print counts while the motor is
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@@ -54,12 +38,27 @@ But it may help to locate the aproximate position of a peak.
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</p>
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<p>
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Once a peak has been found, its position can be optimised and centered with the
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<a href="optimise.htm">peak optimiser</a>.
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<a href="optimise.htm">peak optimiser</a>. Dor not forget to put all
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collimators in and to close all slits before optimizing. This is in
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order to improve accuracy.
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</p>
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<p>
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Once one reflection has been located, others might be located using the
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<a href="Conescan.html">conescan</a> method when the lattice constants
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are known. Do not forget to open all slits and to remove all
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collimators for this.
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</p>
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<p>
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If two reflections and the cell constants are known, a provisional UB
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matrix may be <a href="ubcalc.htm">calculated</a> with the UBCALC
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module. UBCALC can also calculate the UB matrix from three reflections
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from scratch.
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</p>
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<P>
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The next thing to do is to store the reflection and find other ones. Once a
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few reflections have been found, the need to be written to disk. This can be
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accomplished with the object rliste which has the following subcommands:
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With a prvisional UB matrix determined it is advisable to locate and
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optimise another 20 reflections in order to do UB matrix
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refinement. During this time, reflections may be stored using the
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rliste module:
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<DL>
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<DT>rliste clear
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<DD> clears all entries from the list
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