https://wiki.uni-konstanz.de/xds/index.php?title=Choice_of_oscillation_range&feed=atom&action=history Choice of oscillation range - Revision history 2024-03-29T07:15:20Z Revision history for this page on the wiki MediaWiki 1.39.6 https://wiki.uni-konstanz.de/xds/index.php?title=Choice_of_oscillation_range&diff=2973&oldid=prev Kay at 20:06, 28 May 2014 2014-05-28T20:06:40Z <p></p> <table style="background-color: #fff; color: #202122;" data-mw="interface"> <col class="diff-marker" /> <col class="diff-content" /> <col class="diff-marker" /> <col class="diff-content" /> <tr class="diff-title" lang="en"> <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 21:06, 28 May 2014</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l2">Line 2:</td> <td colspan="2" class="diff-lineno">Line 2:</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"></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> <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> </table> Kay https://wiki.uni-konstanz.de/xds/index.php?title=Choice_of_oscillation_range&diff=2639&oldid=prev Kay at 11:00, 25 June 2012 2012-06-25T11:00:20Z <p></p> <table style="background-color: #fff; color: #202122;" data-mw="interface"> <col class="diff-marker" /> <col class="diff-content" /> <col class="diff-marker" /> <col class="diff-content" /> <tr class="diff-title" lang="en"> <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 12:00, 25 June 2012</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l1">Line 1:</td> <td colspan="2" class="diff-lineno">Line 1:</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 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) &#039;&#039;Acta Cryst&#039;&#039;. &#039;&#039;&#039;D68&#039;&#039;&#039;, 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) &#039;&#039;Acta Cryst&#039;&#039;. &#039;&#039;&#039;D68&#039;&#039;&#039;, 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 &#039;&#039;subtracted&#039;&#039; 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 &#039;&#039;will&#039;&#039; 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 &#039;&#039;subtracted&#039;&#039; 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 &#039;&#039;will&#039;&#039; 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> Kay https://wiki.uni-konstanz.de/xds/index.php?title=Choice_of_oscillation_range&diff=2637&oldid=prev Kay: moved Choice of OSCILLATION RANGE to Choice of oscillation range 2012-06-24T18:45:15Z <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> <table style="background-color: #fff; color: #202122;" data-mw="interface"> <tr class="diff-title" lang="en"> <td colspan="1" style="background-color: #fff; color: #202122; text-align: center;">← Older revision</td> <td colspan="1" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 19:45, 24 June 2012</td> </tr><tr><td colspan="2" class="diff-notice" lang="en"><div class="mw-diff-empty">(No difference)</div> </td></tr></table> Kay https://wiki.uni-konstanz.de/xds/index.php?title=Choice_of_oscillation_range&diff=2636&oldid=prev Kay at 18:43, 24 June 2012 2012-06-24T18:43:18Z <p></p> <table style="background-color: #fff; color: #202122;" data-mw="interface"> <col class="diff-marker" /> <col class="diff-content" /> <col class="diff-marker" /> <col class="diff-content" /> <tr class="diff-title" lang="en"> <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 19:43, 24 June 2012</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l1">Line 1:</td> <td colspan="2" class="diff-lineno">Line 1:</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 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> <tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l7">Line 7:</td> <td colspan="2" class="diff-lineno">Line 7:</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><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) &#039;&#039;Acta Cryst&#039;&#039;. &#039;&#039;&#039;D68&#039;&#039;&#039;, 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) &#039;&#039;Acta Cryst&#039;&#039;. &#039;&#039;&#039;D68&#039;&#039;&#039;, 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 &#039;&#039;subtracted&#039;&#039; 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 &#039;&#039;will&#039;&#039; 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 &#039;&#039;subtracted&#039;&#039; 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 &#039;&#039;will&#039;&#039; 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> Kay https://wiki.uni-konstanz.de/xds/index.php?title=Choice_of_oscillation_range&diff=2635&oldid=prev Kay at 18:29, 24 June 2012 2012-06-24T18:29:44Z <p></p> <table style="background-color: #fff; color: #202122;" data-mw="interface"> <col class="diff-marker" /> <col class="diff-content" /> <col class="diff-marker" /> <col class="diff-content" /> <tr class="diff-title" lang="en"> <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> <td colspan="2" class="diff-lineno">Line 1:</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 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) &#039;&#039;Acta Cryst&#039;&#039;. &#039;&#039;&#039;D68&#039;&#039;&#039;, 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 &#039;&#039;subtracted&#039;&#039; 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 &#039;&#039;will&#039;&#039; 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 &#039;&#039;subtracted&#039;&#039; 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 &#039;&#039;will&#039;&#039; 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> Kay https://wiki.uni-konstanz.de/xds/index.php?title=Choice_of_oscillation_range&diff=2630&oldid=prev Kay: 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 &quot;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...&quot;</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 &#039;&#039;subtracted&#039;&#039; 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 &#039;&#039;will&#039;&#039; 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