PSI sics-cvs-psi-2006

This commit is contained in:
2006-05-08 02:00:00 +00:00
committed by Douglas Clowes
parent ae77364de2
commit 6e926b813f
388 changed files with 445529 additions and 14109 deletions

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