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IOTA - Revision history
2024-03-29T14:14:05Z
Revision history for this page on the wiki
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Artem: /* IOTA: integration optimization, triage and analysis */
2019-08-03T00:25:31Z
<p><span dir="auto"><span class="autocomment">IOTA: integration optimization, triage and analysis</span></span></p>
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<td colspan='2' style="background-color: white; color:black; text-align: center;">← Older revision</td>
<td colspan='2' style="background-color: white; color:black; text-align: center;">Revision as of 00:25, 3 August 2019</td>
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<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>[1] [http://www.ncbi.nlm.nih.gov/pubmed/27275148 ''IOTA'': integration optimization, triage and analysis tool for the processing of XFEL diffraction images.] Lyubimov AY, Uervirojnangkoorn M, Zeldin OB, Brewster AS, Murray TD, Sauter NK, Berger JM, Weis WI, Brunger AT. J Appl Crystallogr. 2016 May 11;49(Pt 3):1057-1064</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>[1] [http://www.ncbi.nlm.nih.gov/pubmed/27275148 ''IOTA'': integration optimization, triage and analysis tool for the processing of XFEL diffraction images.] Lyubimov AY, Uervirojnangkoorn M, Zeldin OB, Brewster AS, Murray TD, Sauter NK, Berger JM, Weis WI, Brunger AT. J Appl Crystallogr. 2016 May 11;49(Pt 3):1057-1064</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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>[2] <del class="diffchange diffchange-inline"> </del>[<del class="diffchange diffchange-inline">http</del>://www.ncbi.nlm.nih.gov/pubmed/<del class="diffchange diffchange-inline">27050135 Diffraction-geometry refinement in the </del>DIALS <del class="diffchange diffchange-inline">framework</del>.] <del class="diffchange diffchange-inline">Waterman DG, </del>Winter G, <del class="diffchange diffchange-inline">Gildea RJ</del>, Parkhurst <del class="diffchange diffchange-inline">JM</del>, Brewster <del class="diffchange diffchange-inline">AS</del>, Sauter <del class="diffchange diffchange-inline">NK</del>, Evans G. <del class="diffchange diffchange-inline">''Acta Crystallogr D Struct Biol.'' 2016 Apr;72</del>(<del class="diffchange diffchange-inline">Pt 4</del>)<del class="diffchange diffchange-inline">:558</del>-<del class="diffchange diffchange-inline">75</del>.</div></td><td class='diff-marker'>+</td><td style="color:black; 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>[2] [<ins class="diffchange diffchange-inline">https</ins>://www.ncbi.nlm.nih.gov/pubmed/<ins class="diffchange diffchange-inline">29533234 </ins>DIALS<ins class="diffchange diffchange-inline">: implementation and evaluation of a new integration package</ins>.] Winter<ins class="diffchange diffchange-inline">, </ins>G<ins class="diffchange diffchange-inline">.</ins>, <ins class="diffchange diffchange-inline">Waterman, D. G.</ins>, Parkhurst<ins class="diffchange diffchange-inline">, J. M.</ins>, Brewster<ins class="diffchange diffchange-inline">, A. S., Gildea, R. J., Gerstel, M., Fuentes-Montero, L., Vollmar, M., Michels-Clark, T., Young, I. D.</ins>, Sauter, <ins class="diffchange diffchange-inline">N. K. & </ins>Evans<ins class="diffchange diffchange-inline">, </ins>G. (<ins class="diffchange diffchange-inline">2018</ins>)<ins class="diffchange diffchange-inline">. Acta Cryst. D74, 85</ins>-<ins class="diffchange diffchange-inline">97</ins>.</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>[3] [https://www.ncbi.nlm.nih.gov/pubmed/30198898 Improving signal strength in serial crystallography with DIALS geometry refinement.] Brewster, A.  S., Waterman, D. G., Parkhurst, J. M., Gildea, R. J., Young, I. D., O'Riordan, L. J., Yano, J., Winter, G., Evans, G. & Sauter, N. K. (2018). Acta Cryst. D74, 877-894.</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>[3] [https://www.ncbi.nlm.nih.gov/pubmed/30198898 Improving signal strength in serial crystallography with DIALS geometry refinement.] Brewster, A.  S., Waterman, D. G., Parkhurst, J. M., Gildea, R. J., Young, I. D., O'Riordan, L. J., Yano, J., Winter, G., Evans, G. & Sauter, N. K. (2018). Acta Cryst. D74, 877-894.</div></td></tr>
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Artem
http://viper.lbl.gov:8080/cctbx.xfel/index.php?title=IOTA&diff=1689&oldid=prev
Artem: /* IOTA: integration optimization, triage and analysis */
2019-08-03T00:23:04Z
<p><span dir="auto"><span class="autocomment">IOTA: integration optimization, triage and analysis</span></span></p>
<table class='diff diff-contentalign-left'>
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<td colspan='2' style="background-color: white; color:black; text-align: center;">← Older revision</td>
<td colspan='2' style="background-color: white; color:black; text-align: center;">Revision as of 00:23, 3 August 2019</td>
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<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>= ''IOTA'': '''i'''ntegration '''o'''ptimization, '''t'''riage and '''a'''nalysis =</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>= ''IOTA'': '''i'''ntegration '''o'''ptimization, '''t'''riage and '''a'''nalysis =</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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>''IOTA'' is a user-friendly front end for <del class="diffchange diffchange-inline">the ''cctbx</del>.<del class="diffchange diffchange-inline">xfel''and ''DIALS'' suites of </del>serial diffraction data processing <del class="diffchange diffchange-inline">programs</del>. <del class="diffchange diffchange-inline">It </del>is comprised of three main modules:</div></td><td class='diff-marker'>+</td><td style="color:black; 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>''IOTA'' is a user-friendly front end for <ins class="diffchange diffchange-inline"><code>dials</ins>.<ins class="diffchange diffchange-inline">stills_process</code>: a </ins>serial diffraction data processing <ins class="diffchange diffchange-inline">program</ins>. <ins class="diffchange diffchange-inline">''IOTA'' </ins>is comprised of three main modules:</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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># Raw image import<del class="diffchange diffchange-inline">, conversion</del>, pre-processing and triage</div></td><td class='diff-marker'>+</td><td style="color:black; 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># Raw image import, pre-processing and triage</div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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># Image indexing and integration using <del class="diffchange diffchange-inline">''cctbx</del>.<del class="diffchange diffchange-inline">xfel'' (with optimization of spot-finding parameters) or ''DIALS'' (this is currently in the process of being adapted for diffraction stills)</del></div></td><td class='diff-marker'>+</td><td style="color:black; 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># Image indexing<ins class="diffchange diffchange-inline">, lattice model refinement, </ins>and integration using <ins class="diffchange diffchange-inline"><code>dials</ins>.<ins class="diffchange diffchange-inline">stills_process</code></ins></div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div># Analysis of the integrated dataset</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div># Analysis of the integrated dataset</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>''IOTA'' can be run as a GUI or from the command-line; scripts can be used for both, interchangeably. The GUI has the advantage of displaying useful statistics; it can also be run in "monitor mode" during live data collection, during which the program will wait for new images to be written into the specified input folder. The command-line mode is useful if the program is run remotely on servers that do not, for some reason, support graphics.</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>''IOTA'' can be run as a GUI or from the command-line; scripts can be used for both, interchangeably. The GUI has the advantage of displaying useful statistics; it can also be run in "monitor mode" during live data collection, during which the program will wait for new images to be written into the specified input folder. The command-line mode is useful if the program is run remotely on servers that do not, for some reason, support graphics.</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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>Please note that ''IOTA'' is a front-end for <del class="diffchange diffchange-inline">(currently) two pieces of data </del>processing software<del class="diffchange diffchange-inline">: ''cctbx.xfel'' and ''DIALS''</del>. Therefore, the preferred construction for citation should be something like "<del class="diffchange diffchange-inline">diffraction </del>data were processed with ''IOTA'' [1] using data reduction algorithms implemented in ''<del class="diffchange diffchange-inline">cctbx.xfel</del>'' [2<del class="diffchange diffchange-inline">] (or ''DIALS'' [</del>3]<del class="diffchange diffchange-inline">)</del>".</div></td><td class='diff-marker'>+</td><td style="color:black; 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>Please note that ''IOTA'' is a front-end for <ins class="diffchange diffchange-inline">other </ins>processing software. Therefore, the preferred construction for citation should be something like "data were processed with ''IOTA'' [1] using <ins class="diffchange diffchange-inline">serial diffraction </ins>data reduction algorithms implemented in ''<ins class="diffchange diffchange-inline">DIALS</ins>'' [2<ins class="diffchange diffchange-inline">, </ins>3]".</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>[1] [http://www.ncbi.nlm.nih.gov/pubmed/27275148 ''IOTA'': integration optimization, triage and analysis tool for the processing of XFEL diffraction images.] Lyubimov AY, Uervirojnangkoorn M, Zeldin OB, Brewster AS, Murray TD, Sauter NK, Berger JM, Weis WI, Brunger AT. J Appl Crystallogr. 2016 May 11;49(Pt 3):1057-1064</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>[1] [http://www.ncbi.nlm.nih.gov/pubmed/27275148 ''IOTA'': integration optimization, triage and analysis tool for the processing of XFEL diffraction images.] Lyubimov AY, Uervirojnangkoorn M, Zeldin OB, Brewster AS, Murray TD, Sauter NK, Berger JM, Weis WI, Brunger AT. J Appl Crystallogr. 2016 May 11;49(Pt 3):1057-1064</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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>[2] [http://www.ncbi.nlm.nih.gov/pubmed/<del class="diffchange diffchange-inline">24633409 Accurate macromolecular structures using minimal measurements from X</del>-<del class="diffchange diffchange-inline">ray free-electron lasers</del>.] <del class="diffchange diffchange-inline">Accurate macromolecular structures using minimal measurements from X-ray free-electron lasers. Hattne J</del>, <del class="diffchange diffchange-inline">Echols N, Tran R, Kern J</del>, Gildea RJ, Brewster AS, <del class="diffchange diffchange-inline">Alonso-Mori R</del>, <del class="diffchange diffchange-inline">Glöckner C, Hellmich J, Laksmono H, Sierra RG, Lassalle-Kaiser B, Lampe A, Han </del>G<del class="diffchange diffchange-inline">, Gul S, DiFiore D, Milathianaki D, Fry AR, Miahnahri A, White WE, Schafer DW, Seibert MM, Koglin JE, Sokaras D, Weng TC, Sellberg J, Latimer MJ, Glatzel P, Zwart PH, Grosse-Kunstleve RW, Bogan MJ, Messerschmidt M, Williams GJ, Boutet S, Messinger J, Zouni A, Yano J, Bergmann U, Yachandra VK, Adams PD, Sauter NK</del>. ''<del class="diffchange diffchange-inline">Nat Methods</del>.'' <del class="diffchange diffchange-inline">2014 May</del>;<del class="diffchange diffchange-inline">11</del>(<del class="diffchange diffchange-inline">5</del>):<del class="diffchange diffchange-inline">545</del>-<del class="diffchange diffchange-inline">8</del>.</div></td><td class='diff-marker'>+</td><td style="color:black; 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>[2] <ins class="diffchange diffchange-inline"> </ins>[http://www.ncbi.nlm.nih.gov/pubmed/<ins class="diffchange diffchange-inline">27050135 Diffraction</ins>-<ins class="diffchange diffchange-inline">geometry refinement in the DIALS framework</ins>.] <ins class="diffchange diffchange-inline">Waterman DG</ins>, <ins class="diffchange diffchange-inline">Winter G</ins>, Gildea RJ<ins class="diffchange diffchange-inline">, Parkhurst JM</ins>, Brewster AS, <ins class="diffchange diffchange-inline">Sauter NK</ins>, <ins class="diffchange diffchange-inline">Evans </ins>G. ''<ins class="diffchange diffchange-inline">Acta Crystallogr D Struct Biol</ins>.'' <ins class="diffchange diffchange-inline">2016 Apr</ins>;<ins class="diffchange diffchange-inline">72</ins>(<ins class="diffchange diffchange-inline">Pt 4</ins>):<ins class="diffchange diffchange-inline">558</ins>-<ins class="diffchange diffchange-inline">75</ins>.</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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>[3] [<del class="diffchange diffchange-inline">http</del>://www.ncbi.nlm.nih.gov/pubmed/<del class="diffchange diffchange-inline">27050135 Diffraction-geometry refinement </del>in <del class="diffchange diffchange-inline">the </del>DIALS <del class="diffchange diffchange-inline">framework</del>.] Waterman <del class="diffchange diffchange-inline">DG</del>, <del class="diffchange diffchange-inline">Winter </del>G, Gildea <del class="diffchange diffchange-inline">RJ</del>, <del class="diffchange diffchange-inline">Parkhurst JM</del>, <del class="diffchange diffchange-inline">Brewster AS</del>, <del class="diffchange diffchange-inline">Sauter NK</del>, Evans G. <del class="diffchange diffchange-inline">''Acta Crystallogr D Struct Biol</del>.<del class="diffchange diffchange-inline">'' 2016 Apr;72</del>(<del class="diffchange diffchange-inline">Pt 4</del>)<del class="diffchange diffchange-inline">:558</del>-<del class="diffchange diffchange-inline">75</del>.</div></td><td class='diff-marker'>+</td><td style="color:black; 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>[3] [<ins class="diffchange diffchange-inline">https</ins>://www.ncbi.nlm.nih.gov/pubmed/<ins class="diffchange diffchange-inline">30198898 Improving signal strength </ins>in <ins class="diffchange diffchange-inline">serial crystallography with </ins>DIALS <ins class="diffchange diffchange-inline">geometry refinement</ins>.] <ins class="diffchange diffchange-inline">Brewster, A.  S., </ins>Waterman, <ins class="diffchange diffchange-inline">D. </ins>G<ins class="diffchange diffchange-inline">., Parkhurst, J. M.</ins>, Gildea, <ins class="diffchange diffchange-inline">R. J.</ins>, <ins class="diffchange diffchange-inline">Young</ins>, <ins class="diffchange diffchange-inline">I. D., O'Riordan, L. J., Yano, J., Winter, G.</ins>, Evans<ins class="diffchange diffchange-inline">, </ins>G. <ins class="diffchange diffchange-inline">& Sauter, N. K</ins>. (<ins class="diffchange diffchange-inline">2018</ins>)<ins class="diffchange diffchange-inline">. Acta Cryst. D74, 877</ins>-<ins class="diffchange diffchange-inline">894</ins>.</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>= ''IOTA'' GUI  =</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>= ''IOTA'' GUI  =</div></td></tr>
<!-- diff cache key cctbx_xfel:diff:version:1.11a:oldid:1688:newid:1689 -->
</table>
Artem
http://viper.lbl.gov:8080/cctbx.xfel/index.php?title=IOTA&diff=1688&oldid=prev
Artem: /* Output */
2019-08-03T00:15:30Z
<p><span dir="auto"><span class="autocomment">Output</span></span></p>
<table class='diff diff-contentalign-left'>
<col class='diff-marker' />
<col class='diff-content' />
<col class='diff-marker' />
<col class='diff-content' />
<tr style='vertical-align: top;'>
<td colspan='2' style="background-color: white; color:black; text-align: center;">← Older revision</td>
<td colspan='2' style="background-color: white; color:black; text-align: center;">Revision as of 00:15, 3 August 2019</td>
</tr><tr><td colspan="2" class="diff-lineno">Line 195:</td>
<td colspan="2" class="diff-lineno">Line 195:</td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>Due to ''IOTA's'' flexibility, there are several types of output that co-exist simultaneously and can be somewhat disconnected from one another. It helps to think of them as three separate stages of the process: pre-processing, integration, and post-processing / analysis.  </div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>Due to ''IOTA's'' flexibility, there are several types of output that co-exist simultaneously and can be somewhat disconnected from one another. It helps to think of them as three separate stages of the process: pre-processing, integration, and post-processing / analysis.  </div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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 pre-processing, raw images are read in and converted to Python pickles. These are saved under the <del class="diffchange diffchange-inline">"</del>converted_pickles<del class="diffchange diffchange-inline">" </del>folder in the format <prefix>_<run_no>_<#####>.pickle; each cycle of pre-processing is assigned a run number (e.g. "001", "002", "003", etc.). Pre-processing is only triggered if a) the read-in image is not already pickled or b) the image has to be modified in some way (e.g. override beamXY coordinates, change detector distance, etc.). Thus, if converted and modified pickles are submitted to IOTA, the "converted_pickles" folder will not be created. The purpose of this is to allow the user to experiment with image modification, then subsequently select the converted pickles that best fit the user's needs. (<b>NOTE:</b> conversion to Python pickle format is only necessary for the deprecated "HA14" processing backend. The new <code>dials.stills_process</code> program can read any image format directly and doesn't require format conversion. Likewise, spotfinding parameter grid search is only applicable to the "HA14" backend and is not used with <code>dials.stills_process</code>.)</div></td><td class='diff-marker'>+</td><td style="color:black; 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 pre-processing, raw images are read in and converted to Python pickles. These are saved under the <ins class="diffchange diffchange-inline"><code></ins>converted_pickles<ins class="diffchange diffchange-inline"></code> </ins>folder in the format <prefix>_<run_no>_<#####>.pickle; each cycle of pre-processing is assigned a run number (e.g. "001", "002", "003", etc.). Pre-processing is only triggered if a) the read-in image is not already pickled or b) the image has to be modified in some way (e.g. override beamXY coordinates, change detector distance, etc.). Thus, if converted and modified pickles are submitted to IOTA, the "converted_pickles" folder will not be created. The purpose of this is to allow the user to experiment with image modification, then subsequently select the converted pickles that best fit the user's needs. (<b>NOTE:</b> conversion to Python pickle format is only necessary for the deprecated "HA14" processing backend. The new <code>dials.stills_process</code> program can read any image format directly and doesn't require format conversion. Likewise, spotfinding parameter grid search is only applicable to the "HA14" backend and is not used with <code>dials.stills_process</code>.)</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>The output of the other two steps (integration and post-processing / analysis) can be found under the <code>integration</code> folder. It mostly contains a lot of files that are necessary for IOTA to keep track of the processed data, including a JSON dictionary file <code>proc.info</code> that contains all the information about the current processing run. The integrated pickles are collected under <code>integration/###/final</code> folder, in the format int_<filename>.pickle. Only successfully integrated images are saved this way. For each of the input images, however, a log of the backend output is saved in the <code>logs</code> folder, in the format <filename>.log. This file is not for the faint of heart, as it contains the raw output of <code>dials.stills_process</code> and can be used for troubleshooting by advanced users.</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>The output of the other two steps (integration and post-processing / analysis) can be found under the <code>integration</code> folder. It mostly contains a lot of files that are necessary for IOTA to keep track of the processed data, including a JSON dictionary file <code>proc.info</code> that contains all the information about the current processing run. The integrated pickles are collected under <code>integration/###/final</code> folder, in the format int_<filename>.pickle. Only successfully integrated images are saved this way. For each of the input images, however, a log of the backend output is saved in the <code>logs</code> folder, in the format <filename>.log. This file is not for the faint of heart, as it contains the raw output of <code>dials.stills_process</code> and can be used for troubleshooting by advanced users.</div></td></tr>
</table>
Artem
http://viper.lbl.gov:8080/cctbx.xfel/index.php?title=IOTA&diff=1687&oldid=prev
Artem: /* Output */
2019-08-03T00:15:10Z
<p><span dir="auto"><span class="autocomment">Output</span></span></p>
<table class='diff diff-contentalign-left'>
<col class='diff-marker' />
<col class='diff-content' />
<col class='diff-marker' />
<col class='diff-content' />
<tr style='vertical-align: top;'>
<td colspan='2' style="background-color: white; color:black; text-align: center;">← Older revision</td>
<td colspan='2' style="background-color: white; color:black; text-align: center;">Revision as of 00:15, 3 August 2019</td>
</tr><tr><td colspan="2" class="diff-lineno">Line 193:</td>
<td colspan="2" class="diff-lineno">Line 193:</td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>= Output =</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>= Output =</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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>Due to ''IOTA's'' flexibility, there are several types of output that co-exist simultaneously and can be somewhat disconnected from one another. It helps to think of them as three separate stages of the process: pre-processing, <del class="diffchange diffchange-inline">grid-search / </del>integration, and post-processing / analysis.  </div></td><td class='diff-marker'>+</td><td style="color:black; 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>Due to ''IOTA's'' flexibility, there are several types of output that co-exist simultaneously and can be somewhat disconnected from one another. It helps to think of them as three separate stages of the process: pre-processing, integration, and post-processing / analysis.  </div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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 pre-processing, raw images are read in and converted to Python pickles. These are saved under the "converted_pickles" folder in the format <prefix>_<run_no>_<#####>.pickle; each cycle of pre-processing is assigned a run number (e.g. "001", "002", "003", etc.). Pre-processing is only triggered if a) the read-in image is not already pickled or b) the image has to be modified in some way (e.g. override beamXY coordinates, change detector distance, etc.). Thus, if converted and modified pickles are submitted to IOTA, the "converted_pickles" folder will not be created. The purpose of this is to allow the user to experiment with image modification, then subsequently select the converted pickles that best fit the user's needs.</div></td><td class='diff-marker'>+</td><td style="color:black; 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 pre-processing, raw images are read in and converted to Python pickles. These are saved under the "converted_pickles" folder in the format <prefix>_<run_no>_<#####>.pickle; each cycle of pre-processing is assigned a run number (e.g. "001", "002", "003", etc.). Pre-processing is only triggered if a) the read-in image is not already pickled or b) the image has to be modified in some way (e.g. override beamXY coordinates, change detector distance, etc.). Thus, if converted and modified pickles are submitted to IOTA, the "converted_pickles" folder will not be created. The purpose of this is to allow the user to experiment with image modification, then subsequently select the converted pickles that best fit the user's needs. <ins class="diffchange diffchange-inline">(<b>NOTE:</b> conversion to Python pickle format is only necessary for the deprecated "HA14" processing backend. The new <code>dials.stills_process</code> program can read any image format directly and doesn't require format conversion. Likewise, spotfinding parameter grid search is only applicable to the "HA14" backend and is not used with <code>dials.stills_process</code>.)</ins></div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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 output of the other two steps (<del class="diffchange diffchange-inline">grid-search / </del>integration and post-processing / analysis) can be found under the <del class="diffchange diffchange-inline">"</del>integration<del class="diffchange diffchange-inline">" </del>folder. <del class="diffchange diffchange-inline">The grid-search results </del>are <del class="diffchange diffchange-inline">saved </del>to the <del class="diffchange diffchange-inline">"integration/###/image_objects" folder in the format </del><<del class="diffchange diffchange-inline">filename</del>>.<del class="diffchange diffchange-inline">int. These are pickled dictionaries which contain </del>all the information about the <del class="diffchange diffchange-inline">individual images (without the pixel values or integrated intensities), such as raw image filename, converted pickle filename, the details of the grid search, etc</del>. <del class="diffchange diffchange-inline">These can be used for some of the advanced operations, such as experimentation with the selection process without repeating the grid search.</del></div></td><td class='diff-marker'>+</td><td style="color:black; 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 output of the other two steps (integration and post-processing / analysis) can be found under the <ins class="diffchange diffchange-inline"><code></ins>integration<ins class="diffchange diffchange-inline"></code> </ins>folder. <ins class="diffchange diffchange-inline">It mostly contains a lot of files that </ins>are <ins class="diffchange diffchange-inline">necessary for IOTA </ins>to <ins class="diffchange diffchange-inline">keep track of </ins>the <ins class="diffchange diffchange-inline">processed data, including a JSON dictionary file </ins><<ins class="diffchange diffchange-inline">code</ins>><ins class="diffchange diffchange-inline">proc</ins>.<ins class="diffchange diffchange-inline">info</code> that contains </ins>all the information about the <ins class="diffchange diffchange-inline">current processing run</ins>. The integrated pickles are collected under <ins class="diffchange diffchange-inline"><code></ins>integration/###/final<ins class="diffchange diffchange-inline"></code> </ins>folder, in the format int_<filename>.pickle. Only successfully integrated images are saved this way. For each of the input images, however, a log of <ins class="diffchange diffchange-inline">the backend </ins>output is saved in the <ins class="diffchange diffchange-inline"><code>logs</code> </ins>folder, in the format <filename>.log. This <ins class="diffchange diffchange-inline">file is not for </ins>the <ins class="diffchange diffchange-inline">faint of heart, as it contains </ins>the <ins class="diffchange diffchange-inline">raw output of <code>dials</ins>.<ins class="diffchange diffchange-inline">stills_process<</ins>/<ins class="diffchange diffchange-inline">code> </ins>and can be used for troubleshooting <ins class="diffchange diffchange-inline">by advanced users</ins>.</div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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> </div></td><td class='diff-marker'>+</td><td style="color:black; 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></div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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 integrated pickles are collected under <del class="diffchange diffchange-inline">"</del>integration/###/final<del class="diffchange diffchange-inline">" </del>folder, in the format int_<filename>.pickle. Only successfully integrated images are saved this way. For each of the input images, however, a log of <del class="diffchange diffchange-inline">''cctbx.xfel'' or ''DIALS'' </del>output is saved in the <del class="diffchange diffchange-inline">same </del>folder, in the format <filename>.log. This <del class="diffchange diffchange-inline">log documents each integration attempt from </del>the <del class="diffchange diffchange-inline">grid-search with </del>the <del class="diffchange diffchange-inline">final integration attempt at the end (for ''cctbx</del>.<del class="diffchange diffchange-inline">xfel'') or the linear indexing</del>/<del class="diffchange diffchange-inline">integration output (for ''DIALS'') </del>and can be used for troubleshooting<del class="diffchange diffchange-inline">.</del></div></td><td class='diff-marker'>+</td><td style="color:black; 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></div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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> </div></td><td class='diff-marker'>+</td><td style="color:black; 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></div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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 class="diffchange diffchange-inline">If the user chooses to output any charts (e.g. grid-search heatmap, beam center plot, image visualization, etc.), these will be found under "integration/###/visualization" folder.</del></div></td><td class='diff-marker'>+</td><td style="color:black; 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></div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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> </div></td><td class='diff-marker'>+</td><td style="color:black; 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></div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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 class="diffchange diffchange-inline">Finally, the "integration/###" folder itself contains text files with lists of images, e.g. input images, all integrated images, all images that failed integration, major clusters from the unit cell-clustering module, etc. The main logfile (iota.log) is also found here, as is the default input file for ''PRIME'' (prime.phil)</del>.</div></td><td class='diff-marker'>+</td><td style="color:black; 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></div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td colspan="2"> </td><td class='diff-marker'>+</td><td style="color:black; 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;">If the user chooses to output any charts (e.g. beam center plot, image visualization, etc.), these will be found under <code>integration/###/visualization</code> folder.</ins></div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td colspan="2"> </td><td class='diff-marker'>+</td><td style="color:black; 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;">Finally, the <code>integration/###</code> folder itself contains text files with lists of images, e.g. input images, all integrated images, all images that failed integration, major clusters from the unit cell-clustering module, etc. The main logfile (<code>iota.log</code>) is also found here, as are the script files for IOTA (<code>iota_r#.param</code>) and the backend (<code>target.phil</code>), and the default input file for ''PRIME'' (prime.phil).</ins></div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>= ''IOTA'' Tutorial =</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>= ''IOTA'' Tutorial =</div></td></tr>
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Artem
http://viper.lbl.gov:8080/cctbx.xfel/index.php?title=IOTA&diff=1686&oldid=prev
Artem: /* Command-line Options */
2019-08-03T00:04:06Z
<p><span dir="auto"><span class="autocomment">Command-line Options</span></span></p>
<table class='diff diff-contentalign-left'>
<col class='diff-marker' />
<col class='diff-content' />
<col class='diff-marker' />
<col class='diff-content' />
<tr style='vertical-align: top;'>
<td colspan='2' style="background-color: white; color:black; text-align: center;">← Older revision</td>
<td colspan='2' style="background-color: white; color:black; text-align: center;">Revision as of 00:04, 3 August 2019</td>
</tr><tr><td colspan="2" class="diff-lineno">Line 183:</td>
<td colspan="2" class="diff-lineno">Line 183:</td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>All of the options in the script can be introduced as command-line statements by using a "compressed" PHIL format. Thus:</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>All of the options in the script can be introduced as command-line statements by using a "compressed" PHIL format. Thus:</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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 class="diffchange diffchange-inline">cctbx </del>{</div></td><td class='diff-marker'>+</td><td style="color:black; 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 class="diffchange diffchange-inline">cctbx_xfel </ins>{</div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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 class="diffchange diffchange-inline">grid_search {</del></div></td><td class='diff-marker'>+</td><td style="color:black; 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 class="diffchange diffchange-inline">target_space_group </ins>= <ins class="diffchange diffchange-inline">P422</ins></div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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 class="diffchange diffchange-inline">      type </del>= <del class="diffchange diffchange-inline">None *brute_force smart</del></div></td><td class='diff-marker'>+</td><td style="color:black; 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></div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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 class="diffchange diffchange-inline">    }</del></div></td><td class='diff-marker'>+</td><td style="color:black; 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></div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>   }</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>   }</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>translates into</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>translates into</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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>   iota.run script.param <del class="diffchange diffchange-inline">cctbx</del>.<del class="diffchange diffchange-inline">grid_search.type</del>=<del class="diffchange diffchange-inline">brute_force</del></div></td><td class='diff-marker'>+</td><td style="color:black; 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>   iota.run script.param <ins class="diffchange diffchange-inline">cctbx_xfel</ins>.<ins class="diffchange diffchange-inline">target_space_group</ins>=<ins class="diffchange diffchange-inline">P422</ins></div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>= Output =</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>= Output =</div></td></tr>
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Artem
http://viper.lbl.gov:8080/cctbx.xfel/index.php?title=IOTA&diff=1685&oldid=prev
Artem: /* Command-line Options */
2019-08-03T00:02:58Z
<p><span dir="auto"><span class="autocomment">Command-line Options</span></span></p>
<table class='diff diff-contentalign-left'>
<col class='diff-marker' />
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<col class='diff-marker' />
<col class='diff-content' />
<tr style='vertical-align: top;'>
<td colspan='2' style="background-color: white; color:black; text-align: center;">← Older revision</td>
<td colspan='2' style="background-color: white; color:black; text-align: center;">Revision as of 00:02, 3 August 2019</td>
</tr><tr><td colspan="2" class="diff-lineno">Line 180:</td>
<td colspan="2" class="diff-lineno">Line 180:</td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>   iota.run -h</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>   iota.run -h</div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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></div></td><td colspan="2"> </td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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;">Perhaps the most useful of these are -r and -n options, as they allow the user to adjust an IOTA run in Auto-mode on the fly. Alternatively, both of these settings can be changed within the script file. </del></div></td><td colspan="2"> </td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>All of the options in the script can be introduced as command-line statements by using a "compressed" PHIL format. Thus:</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>All of the options in the script can be introduced as command-line statements by using a "compressed" PHIL format. Thus:</div></td></tr>
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</table>
Artem
http://viper.lbl.gov:8080/cctbx.xfel/index.php?title=IOTA&diff=1684&oldid=prev
Artem: /* Command-line Options */
2019-08-03T00:02:15Z
<p><span dir="auto"><span class="autocomment">Command-line Options</span></span></p>
<table class='diff diff-contentalign-left'>
<col class='diff-marker' />
<col class='diff-content' />
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<col class='diff-content' />
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<td colspan='2' style="background-color: white; color:black; text-align: center;">← Older revision</td>
<td colspan='2' style="background-color: white; color:black; text-align: center;">Revision as of 00:02, 3 August 2019</td>
</tr><tr><td colspan="2" class="diff-lineno">Line 165:</td>
<td colspan="2" class="diff-lineno">Line 165:</td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>In addition to a command script, IOTA runs can be modified by command-line options:</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>In addition to a command script, IOTA runs can be modified by command-line options:</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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>   -h, --help <del class="diffchange diffchange-inline">                  </del>show help message and exit</div></td><td class='diff-marker'>+</td><td style="color:black; 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>   -h, --help <ins class="diffchange diffchange-inline">          </ins>show <ins class="diffchange diffchange-inline">this </ins>help message and exit</div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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>   --version <del class="diffchange diffchange-inline">                  </del>Prints version info</div></td><td class='diff-marker'>+</td><td style="color:black; 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>   --version <ins class="diffchange diffchange-inline">            </ins>Prints version info <ins class="diffchange diffchange-inline">of IOTA</ins></div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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 class="diffchange diffchange-inline">l</del>, --<del class="diffchange diffchange-inline">list                  Output a file (input_images.lst) with input image paths </del>and <del class="diffchange diffchange-inline">exit</del></div></td><td class='diff-marker'>+</td><td style="color:black; 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 class="diffchange diffchange-inline">d</ins>, --<ins class="diffchange diffchange-inline">default        Generate default settings files </ins>and <ins class="diffchange diffchange-inline">stop</ins></div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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 class="diffchange diffchange-inline">-c, </del>--<del class="diffchange diffchange-inline">convert </del>              <del class="diffchange diffchange-inline">Convert raw images to pickles and exit</del></div></td><td class='diff-marker'>+</td><td style="color:black; 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 class="diffchange diffchange-inline">ha14 </ins>              <ins class="diffchange diffchange-inline">Run IOTA with old HA14 backend</ins></div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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 class="diffchange diffchange-inline">d, </del>-<del class="diffchange diffchange-inline">-default                Generate default iota.param and target.phil files and exit</del></div></td><td class='diff-marker'>+</td><td style="color:black; 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 class="diffchange diffchange-inline">random RANDOM      Size of randomized subset</ins>, e.g. <ins class="diffchange diffchange-inline">"</ins>-<ins class="diffchange diffchange-inline">-random 10"</ins></div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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 class="diffchange diffchange-inline">  -p PREFIX</del>, <del class="diffchange diffchange-inline">--prefix PREFIX  Specify custom prefix for converted pickles (</del>e.g. -<del class="diffchange diffchange-inline">p user)</del></div></td><td class='diff-marker'>+</td><td style="color:black; 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 class="diffchange diffchange-inline">range [RANGE]      Range </ins>of images, e.g."-<ins class="diffchange diffchange-inline">-range 1-</ins>5<ins class="diffchange diffchange-inline">,25,200-250</ins>"</div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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 class="diffchange diffchange-inline">s, </del>-<del class="diffchange diffchange-inline">-select                Selection only, no grid search</del></div></td><td class='diff-marker'>+</td><td style="color:black; 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>   -n NPROC<ins class="diffchange diffchange-inline">, --nproc NPROC</ins></div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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 class="diffchange diffchange-inline">  -r RANDOM                    Run IOTA with a random subset </del>of images, e.g. "-<del class="diffchange diffchange-inline">r </del>5"</div></td><td class='diff-marker'>+</td><td style="color:black; 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 class="diffchange diffchange-inline">                        </ins>Specify a number of cores for a multiprocessor run"</div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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>   -n NPROC <del class="diffchange diffchange-inline">                    </del>Specify a number of cores for a multiprocessor run"</div></td><td class='diff-marker'>+</td><td style="color:black; 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>   --analyze [ANALYZE] <ins class="diffchange diffchange-inline">  </ins>Use for analysis only; specify run number or folder</div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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 class="diffchange diffchange-inline">  --mpi [MPI]                  Specify stage of process - for MPI only</del></div></td><td class='diff-marker'>+</td><td style="color:black; 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 class="diffchange diffchange-inline">  --tmp TMP            Path to temp folder</ins></div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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>   --analyze [ANALYZE] <del class="diffchange diffchange-inline">        </del>Use for analysis only; specify run number or folder <del class="diffchange diffchange-inline">with results</del></div></td><td class='diff-marker'>+</td><td style="color:black; 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 class="diffchange diffchange-inline">  --silent              Run IOTA in silent mode</ins></div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>These options can be shown by issuing:</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>These options can be shown by issuing:</div></td></tr>
<tr><td colspan="2" class="diff-lineno">Line 194:</td>
<td colspan="2" class="diff-lineno">Line 194:</td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>   iota.run script.param cctbx.grid_search.type=brute_force</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>   iota.run script.param cctbx.grid_search.type=brute_force</div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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></div></td><td colspan="2"> </td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>= Output =</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>= Output =</div></td></tr>
</table>
Artem
http://viper.lbl.gov:8080/cctbx.xfel/index.php?title=IOTA&diff=1683&oldid=prev
Artem: /* Script Mode */
2019-08-02T23:58:12Z
<p><span dir="auto"><span class="autocomment">Script Mode</span></span></p>
<table class='diff diff-contentalign-left'>
<col class='diff-marker' />
<col class='diff-content' />
<col class='diff-marker' />
<col class='diff-content' />
<tr style='vertical-align: top;'>
<td colspan='2' style="background-color: white; color:black; text-align: center;">← Older revision</td>
<td colspan='2' style="background-color: white; color:black; text-align: center;">Revision as of 23:58, 2 August 2019</td>
</tr><tr><td colspan="2" class="diff-lineno">Line 146:</td>
<td colspan="2" class="diff-lineno">Line 146:</td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>Additionally, IOTA settings can be modified by command-line statements, e.g.:</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>Additionally, IOTA settings can be modified by command-line statements, e.g.:</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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>   iota.run script.param <del class="diffchange diffchange-inline">cctbx</del>.<del class="diffchange diffchange-inline">grid_search</del>.<del class="diffchange diffchange-inline">type</del>=<del class="diffchange diffchange-inline">smart cctbx</del>.<del class="diffchange diffchange-inline">grid_search</del>.<del class="diffchange diffchange-inline">area_median</del>=<del class="diffchange diffchange-inline">7</del></div></td><td class='diff-marker'>+</td><td style="color:black; 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>   iota.run script.param <ins class="diffchange diffchange-inline">data_selection</ins>.<ins class="diffchange diffchange-inline">image_range</ins>.<ins class="diffchange diffchange-inline">flag_on</ins>=<ins class="diffchange diffchange-inline">True data_selection</ins>.<ins class="diffchange diffchange-inline">image_range</ins>.<ins class="diffchange diffchange-inline">range</ins>=<ins class="diffchange diffchange-inline">1-100</ins></div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Single-Image Mode ==</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Single-Image Mode ==</div></td></tr>
<!-- diff cache key cctbx_xfel:diff:version:1.11a:oldid:1682:newid:1683 -->
</table>
Artem
http://viper.lbl.gov:8080/cctbx.xfel/index.php?title=IOTA&diff=1682&oldid=prev
Artem: /* Script Mode */
2019-08-02T23:56:33Z
<p><span dir="auto"><span class="autocomment">Script Mode</span></span></p>
<table class='diff diff-contentalign-left'>
<col class='diff-marker' />
<col class='diff-content' />
<col class='diff-marker' />
<col class='diff-content' />
<tr style='vertical-align: top;'>
<td colspan='2' style="background-color: white; color:black; text-align: center;">← Older revision</td>
<td colspan='2' style="background-color: white; color:black; text-align: center;">Revision as of 23:56, 2 August 2019</td>
</tr><tr><td colspan="2" class="diff-lineno">Line 116:</td>
<td colspan="2" class="diff-lineno">Line 116:</td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>The script contains settings in PHIL format, e.g.:</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>The script contains settings in PHIL format, e.g.:</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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>   description = "IOTA <del class="diffchange diffchange-inline">run #5</del>, <del class="diffchange diffchange-inline">with some modified settings</del>"</div></td><td class='diff-marker'>+</td><td style="color:black; 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>   description = "IOTA <ins class="diffchange diffchange-inline">parameters auto-generated on Friday, Aug 02</ins>, <ins class="diffchange diffchange-inline">2019. 04:40 PM</ins>"</div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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>   input = "/<del class="diffchange diffchange-inline">path</del>/<del class="diffchange diffchange-inline">to</del>/<del class="diffchange diffchange-inline">raw</del>/<del class="diffchange diffchange-inline">images</del>/"</div></td><td class='diff-marker'>+</td><td style="color:black; 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>   input = "/<ins class="diffchange diffchange-inline">Users</ins>/<ins class="diffchange diffchange-inline">art</ins>/<ins class="diffchange diffchange-inline">Science</ins>/<ins class="diffchange diffchange-inline">iota_tutorial</ins>/<ins class="diffchange diffchange-inline">hewl_Br_data</ins>"</div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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>   output = "/<del class="diffchange diffchange-inline">path</del>/<del class="diffchange diffchange-inline">to</del>/<del class="diffchange diffchange-inline">iota/output</del>/"</div></td><td class='diff-marker'>+</td><td style="color:black; 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>   output = "/<ins class="diffchange diffchange-inline">Users</ins>/<ins class="diffchange diffchange-inline">art</ins>/<ins class="diffchange diffchange-inline">Science</ins>/<ins class="diffchange diffchange-inline">iota_tutorial</ins>"</div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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 class="diffchange diffchange-inline">image_conversion </del>{</div></td><td class='diff-marker'>+</td><td style="color:black; 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 class="diffchange diffchange-inline">data_selection </ins>{</div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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 class="diffchange diffchange-inline">rename_pickle = None keep_file_structure *auto_filename custom_filename</del></div></td><td class='diff-marker'>+</td><td style="color:black; 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 class="diffchange diffchange-inline">image_triage {</ins></div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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 class="diffchange diffchange-inline">    rename_pickle_prefix </del>= <del class="diffchange diffchange-inline">None</del></div></td><td class='diff-marker'>+</td><td style="color:black; 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 class="diffchange diffchange-inline">      flag_on </ins>= <ins class="diffchange diffchange-inline">True</ins></div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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 class="diffchange diffchange-inline">    convert_only = False</del></div></td><td class='diff-marker'>+</td><td style="color:black; 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 class="diffchange diffchange-inline">minimum_Bragg_peaks </ins>= <ins class="diffchange diffchange-inline">10</ins></div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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 class="diffchange diffchange-inline">    square_mode = None no_modification *pad crop</del></div></td><td class='diff-marker'>+</td><td style="color:black; 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 class="diffchange diffchange-inline">strong_sigma </ins>= <ins class="diffchange diffchange-inline">5</ins></div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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 class="diffchange diffchange-inline">    mask = None</del></div></td><td class='diff-marker'>+</td><td style="color:black; 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></div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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 class="diffchange diffchange-inline">    invert_boolean_mask = False</del></div></td><td class='diff-marker'>+</td><td style="color:black; 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></div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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 class="diffchange diffchange-inline">    beamstop = 0</del></div></td><td class='diff-marker'>+</td><td style="color:black; 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></div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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 class="diffchange diffchange-inline">    distance = 0</del></div></td><td class='diff-marker'>+</td><td style="color:black; 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></div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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 class="diffchange diffchange-inline">    beam_center {</del></div></td><td class='diff-marker'>+</td><td style="color:black; 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></div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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 class="diffchange diffchange-inline">x </del>= <del class="diffchange diffchange-inline">0</del></div></td><td class='diff-marker'>+</td><td style="color:black; 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></div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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 class="diffchange diffchange-inline">y </del>= <del class="diffchange diffchange-inline">0</del></div></td><td class='diff-marker'>+</td><td style="color:black; 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></div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>     }</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>     }</div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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 class="diffchange diffchange-inline">  }</del></div></td><td class='diff-marker'>+</td><td style="color:black; 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 class="diffchange diffchange-inline">    image_range </ins>{</div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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 class="diffchange diffchange-inline">  image_triage </del>{</div></td><td class='diff-marker'>+</td><td style="color:black; 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 class="diffchange diffchange-inline">      flag_on = False</ins></div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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 class="diffchange diffchange-inline">    type </del>= None <del class="diffchange diffchange-inline">no_triage *simple grid_search</del></div></td><td class='diff-marker'>+</td><td style="color:black; 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 class="diffchange diffchange-inline">      range </ins>= None</div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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 class="diffchange diffchange-inline">min_Bragg_peaks = 10</del></div></td><td class='diff-marker'>+</td><td style="color:black; 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 class="diffchange diffchange-inline">}</ins></div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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 class="diffchange diffchange-inline">grid_search </del>{</div></td><td class='diff-marker'>+</td><td style="color:black; 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 class="diffchange diffchange-inline">random_sample </ins>{</div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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 class="diffchange diffchange-inline">area_min = 6</del></div></td><td class='diff-marker'>+</td><td style="color:black; 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 class="diffchange diffchange-inline">flag_on </ins>= <ins class="diffchange diffchange-inline">False</ins></div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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 class="diffchange diffchange-inline">      area_max = 24</del></div></td><td class='diff-marker'>+</td><td style="color:black; 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 class="diffchange diffchange-inline">number </ins>= <ins class="diffchange diffchange-inline">0</ins></div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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 class="diffchange diffchange-inline">      height_min = 2</del></div></td><td class='diff-marker'>+</td><td style="color:black; 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></div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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 class="diffchange diffchange-inline">      height_max </del>= <del class="diffchange diffchange-inline">20</del></div></td><td class='diff-marker'>+</td><td style="color:black; 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></div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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 class="diffchange diffchange-inline">step_size </del>= <del class="diffchange diffchange-inline">4</del></div></td><td class='diff-marker'>+</td><td style="color:black; 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></div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>     }</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>     }</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>   }</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>   }</div></td></tr>
</table>
Artem
http://viper.lbl.gov:8080/cctbx.xfel/index.php?title=IOTA&diff=1681&oldid=prev
Artem: /* Target Files */
2019-08-02T23:55:23Z
<p><span dir="auto"><span class="autocomment">Target Files</span></span></p>
<table class='diff diff-contentalign-left'>
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<td colspan='2' style="background-color: white; color:black; text-align: center;">← Older revision</td>
<td colspan='2' style="background-color: white; color:black; text-align: center;">Revision as of 23:55, 2 August 2019</td>
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<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Target Files ==</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>== Target Files ==</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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>''IOTA'' itself is a front-end to the data processing <del class="diffchange diffchange-inline">programs ''cctbx</del>.<del class="diffchange diffchange-inline">xfel'' and ''DIALS''</del>. <del class="diffchange diffchange-inline">These programs require their </del>own set of parameters, distinct from ''IOTA'' parameters, which are located in so-called "target" files: text files containing parameters encoded in Python-based hierarchical interchange language or PHIL. When run in AUTO mode, ''IOTA'' generates an appropriate target file <del class="diffchange diffchange-inline">for ''cctbx.xfel'' or ''DIALS'' </del>using defaults deemed reasonable for most serial crystallography projects. <del class="diffchange diffchange-inline">These </del>default target <del class="diffchange diffchange-inline">files </del>can also serve as a starting point for the user to modify those settings as they see fit. The user has the option to provide their own target file (perhaps generated during a previous data processing attempt). The user can edit the ''IOTA'' settings to specify the target file</div></td><td class='diff-marker'>+</td><td style="color:black; 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>''IOTA'' itself is a front-end to the data processing <ins class="diffchange diffchange-inline">program <code>dials</ins>.<ins class="diffchange diffchange-inline">stills_process</code></ins>. <ins class="diffchange diffchange-inline">This program requires its </ins>own set of parameters, distinct from ''IOTA'' parameters, which are located in so-called "target" files: text files containing parameters encoded in Python-based hierarchical interchange language or PHIL. When run in AUTO mode, ''IOTA'' generates an appropriate target file using defaults deemed reasonable for most serial crystallography projects. <ins class="diffchange diffchange-inline">This </ins>default target <ins class="diffchange diffchange-inline">file </ins>can also serve as a starting point for the user to modify those settings as they see fit. The user has the option to provide their own target file (perhaps generated during a previous data processing attempt). The user can edit the ''IOTA'' settings to specify the target file</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>   cctbx {</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>   cctbx {</div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color:black; 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>     target = "<del class="diffchange diffchange-inline">dials</del>.phil"</div></td><td class='diff-marker'>+</td><td style="color:black; 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>     target = "<ins class="diffchange diffchange-inline">user_params</ins>.phil"</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>   }</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>   }</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"></td></tr>
</table>
Artem