https://wiki.uni-konstanz.de/xds/index.php?title=Choice_of_oscillation_range&feed=atom&action=historyChoice of oscillation range - Revision history2024-03-29T07:15:20ZRevision history for this page on the wikiMediaWiki 1.39.6https://wiki.uni-konstanz.de/xds/index.php?title=Choice_of_oscillation_range&diff=2973&oldid=prevKay at 20:06, 28 May 20142014-05-28T20:06:40Z<p></p>
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<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div># preventing reflection overlap at high resolution (see table at end of [[IDXREF.LP]]) - for a given total rotation range, lower oscillation range is better</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div># preventing reflection overlap at high resolution (see table at end of [[IDXREF.LP]]) - for a given total rotation range, lower oscillation range is better</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div># improving the signal-to-noise ratio - lower oscillation range is better (but see below)</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div># improving the signal-to-noise ratio - lower oscillation range is better (but see below)</div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div># minimizing the readout noise (should be 2-10 counts per pixel for CCD, and 0 for pixel array detectors) - larger oscillation range is better</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div># minimizing the readout noise (should be 2-10 counts per pixel for CCD, and 0 for pixel array detectors) - larger oscillation range is better <ins style="font-weight: bold; text-decoration: none;">(only for CCD)</ins></div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div># minimizing the disk space and the readout time - larger oscillation range is better</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div># minimizing the disk space and the readout time - larger oscillation range is better</div></td></tr>
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</table>Kayhttps://wiki.uni-konstanz.de/xds/index.php?title=Choice_of_oscillation_range&diff=2639&oldid=prevKay at 11:00, 25 June 20122012-06-25T11:00:20Z<p></p>
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 12:00, 25 June 2012</td>
</tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l1">Line 1:</td>
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<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>The choice of oscillation range reflects a compromise between conflicting targets - in order of importance: </div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>The choice of oscillation range <ins style="font-weight: bold; text-decoration: none;">(=delta-phi for each frame) </ins>reflects a compromise between conflicting targets - in order of importance: </div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div># preventing reflection overlap at high resolution (see table at end of [[IDXREF.LP]]) - for a given total rotation range, lower oscillation range is better</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div># preventing reflection overlap at high resolution (see table at end of [[IDXREF.LP]]) - for a given total rotation range, lower oscillation range is better</div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div># <del style="font-weight: bold; text-decoration: none;">optimizing </del>the signal-to-noise ratio - lower oscillation range is better (but see below)</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div># <ins style="font-weight: bold; text-decoration: none;">improving </ins>the signal-to-noise ratio - lower oscillation range is better (but see below)</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div># minimizing the readout noise (should be 2-10 counts per pixel for CCD, and 0 for pixel array detectors) - larger oscillation range is better</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div># minimizing the readout noise (should be 2-10 counts per pixel for CCD, and 0 for pixel array detectors) - larger oscillation range is better</div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div># minimizing the disk space <del style="font-weight: bold; text-decoration: none;">- larger oscillation range is better</del></div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div># minimizing the disk space <ins style="font-weight: bold; text-decoration: none;">and </ins>the readout time - larger oscillation range is better</div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div><del style="font-weight: bold; text-decoration: none;"># minimizing </del>the readout time - larger oscillation range is better</div></td><td colspan="2" class="diff-side-added"></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>The following aspects need to be considered when choosing the oscillation range:</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>The following aspects need to be considered when choosing the oscillation range:</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>* crystal mosaicity: choosing the oscillation range less than (crystal mosaicity / 2) will not further increase the signal-to-noise ratio - see Müller et al (2012) ''Acta Cryst''. '''D68''', 42 ([http://scripts.iucr.org/cgi-bin/paper?S0907444911049833 open access])</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>* crystal mosaicity: choosing the oscillation range less than (crystal mosaicity / 2) will not further increase the signal-to-noise ratio - see Müller et al (2012) ''Acta Cryst''. '''D68''', 42 ([http://scripts.iucr.org/cgi-bin/paper?S0907444911049833 open access])</div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>* the maximum oscillation range to prevent angular overlap can be calculated from cell parameters and crystal orientation, and the mosaicity. Specifically, the mosaicity must be ''subtracted'' from the value given in the table at the end of [[IDXREF.LP]] <del style="font-weight: bold; text-decoration: none;">(if </del>the mosaicity is bigger than the table value, of course a positive value for the oscillation range must be chosen, but there ''will'' then be overlaps<del style="font-weight: bold; text-decoration: none;">)</del>.</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>* the maximum oscillation range to prevent angular overlap can be calculated from cell parameters and crystal orientation, and the mosaicity. Specifically, the mosaicity must be ''subtracted'' from the value given in the table at the end of [[IDXREF.LP]] <ins style="font-weight: bold; text-decoration: none;">which takes all of this into account. If </ins>the mosaicity is bigger than the table value, of course a positive value for the oscillation range must be chosen, but there ''will'' then be overlaps.</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>In the absence of mosaicity information (or assuming a mosaicity of 0.3° or less), a reasonable default value for crystals that diffract to <del style="font-weight: bold; text-decoration: none;">2A </del>resolution or less, and longest (primitive!) unit cell axis of <del style="font-weight: bold; text-decoration: none;">150A </del>or less is, in my opinion <del style="font-weight: bold; text-decoration: none;">(</del>and as suggested in publications by Phil Evans and Jim Pflugrath which should be referenced here:</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>In the absence of mosaicity information (or assuming a mosaicity of 0.3° or less), a reasonable default value for crystals that diffract to <ins style="font-weight: bold; text-decoration: none;">2Å </ins>resolution or less, and <ins style="font-weight: bold; text-decoration: none;">have </ins>longest (primitive!) unit cell axis of <ins style="font-weight: bold; text-decoration: none;">150Å </ins>or less is, in my opinion and as suggested in publications by Phil Evans and Jim Pflugrath <ins style="font-weight: bold; text-decoration: none;">(</ins>which should be referenced here <ins style="font-weight: bold; text-decoration: none;">...)</ins>:</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>* around 0.25-0.5° for CCD detectors</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>* around 0.25-0.5° for CCD detectors</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>* around 0.1° for the Pilatus detector</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>* around 0.1° for the Pilatus detector</div></td></tr>
</table>Kayhttps://wiki.uni-konstanz.de/xds/index.php?title=Choice_of_oscillation_range&diff=2637&oldid=prevKay: moved Choice of OSCILLATION RANGE to Choice of oscillation range2012-06-24T18:45:15Z<p>moved <a href="/xds/index.php/Choice_of_OSCILLATION_RANGE" class="mw-redirect" title="Choice of OSCILLATION RANGE">Choice of OSCILLATION RANGE</a> to <a href="/xds/index.php/Choice_of_oscillation_range" title="Choice of oscillation range">Choice of oscillation range</a></p>
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<td colspan="1" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 19:45, 24 June 2012</td>
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</td></tr></table>Kayhttps://wiki.uni-konstanz.de/xds/index.php?title=Choice_of_oscillation_range&diff=2636&oldid=prevKay at 18:43, 24 June 20122012-06-24T18:43:18Z<p></p>
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<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>The choice of oscillation range reflects a compromise between conflicting targets - in order of importance: </div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>The choice of oscillation range reflects a compromise between conflicting targets - in order of importance: </div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div># preventing reflection overlap at high resolution (see table at end of [[IDXREF.LP]]) - lower oscillation range is better</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div># preventing reflection overlap at high resolution (see table at end of [[IDXREF.LP]]) - <ins style="font-weight: bold; text-decoration: none;">for a given total rotation range, </ins>lower oscillation range is better</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div># optimizing the signal-to-noise ratio - lower oscillation range is better (but see below)</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div># optimizing the signal-to-noise ratio - lower oscillation range is better (but see below)</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div># minimizing the readout noise (should be 2-10 counts per pixel for CCD, and 0 for pixel array detectors) - larger oscillation range is better</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div># minimizing the readout noise (should be 2-10 counts per pixel for CCD, and 0 for pixel array detectors) - larger oscillation range is better</div></td></tr>
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<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>The following aspects need to be considered when choosing the oscillation range:</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>The following aspects need to be considered when choosing the oscillation range:</div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div><del style="font-weight: bold; text-decoration: none;"># </del>crystal mosaicity: choosing the oscillation range less than (crystal mosaicity / 2) will not further increase the signal-to-noise ratio - see Müller et al (2012) ''Acta Cryst''. '''D68''', 42 ([<del style="font-weight: bold; text-decoration: none;">open access </del>http://scripts.iucr.org/cgi-bin/paper?S0907444911049833])</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">* </ins>crystal mosaicity: choosing the oscillation range less than (crystal mosaicity / 2) will not further increase the signal-to-noise ratio - see Müller et al (2012) ''Acta Cryst''. '''D68''', 42 ([http://scripts.iucr.org/cgi-bin/paper?S0907444911049833 <ins style="font-weight: bold; text-decoration: none;">open access</ins>])</div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div><del style="font-weight: bold; text-decoration: none;"># </del>the maximum oscillation range to prevent angular overlap can be calculated from cell parameters and crystal orientation, and the mosaicity. Specifically, the mosaicity must be ''subtracted'' from the value given in the table at the end of [[IDXREF.LP]] (if the mosaicity is bigger than the table value, of course a positive value for the oscillation range must be chosen, but there ''will'' then be overlaps).</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">* </ins>the maximum oscillation range to prevent angular overlap can be calculated from cell parameters and crystal orientation, and the mosaicity. Specifically, the mosaicity must be ''subtracted'' from the value given in the table at the end of [[IDXREF.LP]] (if the mosaicity is bigger than the table value, of course a positive value for the oscillation range must be chosen, but there ''will'' then be overlaps).</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div><del style="font-weight: bold; text-decoration: none;">A </del>reasonable default value for crystals that diffract to 2A resolution or less, <del style="font-weight: bold; text-decoration: none;">have a mosaicity of 0.3° or less </del>and longest (primitive!) unit cell axis of 150A or less is, in my opinion:</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">In the absence of mosaicity information (or assuming a mosaicity of 0.3° or less), a </ins>reasonable default value for crystals that diffract to 2A resolution or less, and longest (primitive!) unit cell axis of 150A or less is, in my opinion <ins style="font-weight: bold; text-decoration: none;">(and as suggested in publications by Phil Evans and Jim Pflugrath which should be referenced here</ins>:</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>* around 0.25-0.5° for CCD detectors</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>* around 0.25-0.5° for CCD detectors</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>* around 0.1° for the Pilatus detector</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>* around 0.1° for the Pilatus detector</div></td></tr>
</table>Kayhttps://wiki.uni-konstanz.de/xds/index.php?title=Choice_of_oscillation_range&diff=2635&oldid=prevKay at 18:29, 24 June 20122012-06-24T18:29:44Z<p></p>
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← Older revision</td>
<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 19:29, 24 June 2012</td>
</tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l1">Line 1:</td>
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<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>The choice of oscillation range reflects a compromise between conflicting targets: preventing reflection overlap at high resolution (see table at end of [[IDXREF.LP]])<del style="font-weight: bold; text-decoration: none;">, </del>optimizing the signal-to-noise ratio<del style="font-weight: bold; text-decoration: none;">, minimizing the disk space, and </del>minimizing the readout <del style="font-weight: bold; text-decoration: none;">time </del>(<del style="font-weight: bold; text-decoration: none;">less important with </del>CCD and pixel detectors)<del style="font-weight: bold; text-decoration: none;">. It </del>is <del style="font-weight: bold; text-decoration: none;">also influenced by </del>the <del style="font-weight: bold; text-decoration: none;">type of detector used.</del></div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>The choice of oscillation range reflects a compromise between conflicting targets <ins style="font-weight: bold; text-decoration: none;">- in order of importance</ins>: </div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;"># </ins>preventing reflection overlap at high resolution (see table at end of [[IDXREF.LP]]) <ins style="font-weight: bold; text-decoration: none;">- lower oscillation range is better</ins></div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;"># </ins>optimizing the signal-to-noise ratio <ins style="font-weight: bold; text-decoration: none;">- lower oscillation range is better (but see below)</ins></div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;"># </ins>minimizing the readout <ins style="font-weight: bold; text-decoration: none;">noise </ins>(<ins style="font-weight: bold; text-decoration: none;">should be 2-10 counts per pixel for </ins>CCD<ins style="font-weight: bold; text-decoration: none;">, </ins>and <ins style="font-weight: bold; text-decoration: none;">0 for </ins>pixel <ins style="font-weight: bold; text-decoration: none;">array </ins>detectors) <ins style="font-weight: bold; text-decoration: none;">- larger oscillation range is better</ins></div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;"># minimizing the disk space - larger oscillation range </ins>is <ins style="font-weight: bold; text-decoration: none;">better</ins></div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;"># minimizing </ins>the <ins style="font-weight: bold; text-decoration: none;">readout time - larger oscillation range is better</ins></div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>The following aspects need to be considered when choosing the oscillation range:</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>The following aspects need to be considered when choosing the oscillation range:</div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div># crystal mosaicity: choosing the oscillation range less than (crystal mosaicity / 2) will not further increase the signal-to-noise ratio</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div># crystal mosaicity: choosing the oscillation range less than (crystal mosaicity / 2) will not further increase the signal-to-noise ratio <ins style="font-weight: bold; text-decoration: none;">- see Müller et al (2012) ''Acta Cryst''. '''D68''', 42 ([open access http://scripts.iucr.org/cgi-bin/paper?S0907444911049833])</ins></div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div># the maximum oscillation range to prevent angular overlap can be calculated from cell parameters and crystal orientation, and the mosaicity. Specifically, the mosaicity must be ''subtracted'' from the value given in the table at the end of [[IDXREF.LP]] (if the mosaicity is bigger than the <del style="font-weight: bold; text-decoration: none;">given </del>value, of course a positive value must be chosen, but there ''will'' then be overlaps).</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div># the maximum oscillation range to prevent angular overlap can be calculated from cell parameters and crystal orientation, and the mosaicity. Specifically, the mosaicity must be ''subtracted'' from the value given in the table at the end of [[IDXREF.LP]] (if the mosaicity is bigger than the <ins style="font-weight: bold; text-decoration: none;">table </ins>value, of course a positive value <ins style="font-weight: bold; text-decoration: none;">for the oscillation range </ins>must be chosen, but there ''will'' then be overlaps).</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>A reasonable default value for crystals that diffract to 2A resolution or less, have a mosaicity of 0.3° or less and longest (primitive!) unit cell axis of 150A or less is, in my opinion:</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>A reasonable default value for crystals that diffract to 2A resolution or less, have a mosaicity of 0.3° or less and longest (primitive!) unit cell axis of 150A or less is, in my opinion:</div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>* around 0.5° for CCD detectors</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>* around <ins style="font-weight: bold; text-decoration: none;">0.25-</ins>0.5° for CCD detectors</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>* around 0.1° for the Pilatus detector</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>* around 0.1° for the Pilatus detector</div></td></tr>
</table>Kayhttps://wiki.uni-konstanz.de/xds/index.php?title=Choice_of_oscillation_range&diff=2630&oldid=prevKay: Created page with "The choice of oscillation range reflects a compromise between conflicting targets: preventing reflection overlap at high resolution (see table at end of IDXREF.LP), optimi..."2012-06-22T00:31:36Z<p>Created page with "The choice of oscillation range reflects a compromise between conflicting targets: preventing reflection overlap at high resolution (see table at end of <a href="/xds/index.php/IDXREF.LP" title="IDXREF.LP">IDXREF.LP</a>), optimi..."</p>
<p><b>New page</b></p><div>The choice of oscillation range reflects a compromise between conflicting targets: preventing reflection overlap at high resolution (see table at end of [[IDXREF.LP]]), optimizing the signal-to-noise ratio, minimizing the disk space, and minimizing the readout time (less important with CCD and pixel detectors). It is also influenced by the type of detector used.<br />
<br />
The following aspects need to be considered when choosing the oscillation range:<br />
# crystal mosaicity: choosing the oscillation range less than (crystal mosaicity / 2) will not further increase the signal-to-noise ratio<br />
# the maximum oscillation range to prevent angular overlap can be calculated from cell parameters and crystal orientation, and the mosaicity. Specifically, the mosaicity must be ''subtracted'' from the value given in the table at the end of [[IDXREF.LP]] (if the mosaicity is bigger than the given value, of course a positive value must be chosen, but there ''will'' then be overlaps).<br />
<br />
A reasonable default value for crystals that diffract to 2A resolution or less, have a mosaicity of 0.3° or less and longest (primitive!) unit cell axis of 150A or less is, in my opinion:<br />
* around 0.5° for CCD detectors<br />
* around 0.1° for the Pilatus detector</div>Kay