250806 10:35:35 : Using the detector type "adsc" provided by the BCM
250806 10:35:35 : Autoindexing first, second and both images - please wait...
250806 10:35:35 : XML: <?xml version="1.0" encoding="ISO-8859-1"?><index_request><fileinfo><directory>/scisoft/users/svensson/tmp/srpol-HA00AG3240_1</directory><prefix>ref-srpol-HA00AG3240</prefix><suffix>img</suffix><template>ref-srpol-HA00AG3240_1_###.img</template><run_number>1</run_number></fileinfo><image>1</image><image>2</image><detector><type>adsc</type></detector></index_request>
250806 10:35:35 : Initialising data processing system ... 
250806 10:35:35 : Starting autoindex...
250806 10:35:37 : Screening recommended I/Sigma 10.000000
250806 10:35:37 : Pre-screened image 1 - status = ok
250806 10:35:39 : Screening recommended I/Sigma 10.000000
250806 10:35:39 : Rings found but not in ice regions
250806 10:35:39 : I suggest you inspect these images
250806 10:35:39 : Pre-screened image 2 - status = rings
250806 10:35:56 : Reading stf file: /scisoft/users/svensson/tmp/srpol-HA00AG3240_1/tmp/autoindex_1/mosflm.stf
250806 10:36:17 : Reading stf file: /scisoft/users/svensson/tmp/srpol-HA00AG3240_1/tmp/autoindex_2/mosflm.stf
250806 10:36:57 : Reading stf file: /scisoft/users/svensson/tmp/srpol-HA00AG3240_1/tmp/autoindex_all/mosflm.stf
250806 10:36:57 : Indexing results by indexing task
250806 10:36:57 : Status for all images: ok
250806 10:36:57 : Status for image 1: ok
250806 10:36:57 : Status for image 2: ok
250806 10:36:57 : All individual image solutions agree but the combined does not
250806 10:36:57 : Check the rotations are correct
250806 10:36:57 : Obtained DNA configuration
250806 10:36:57 : Begin interpretation
250806 10:36:57 : Refined solution 2 with C2 symmetry imposed.
250806 10:36:57 : Initial cell (before refinement) is   341.850 208.795 171.063  90.000 102.175  90.000
250806 10:36:57 : Refined cell parameters:              342.015 208.713 171.082  90.000 102.140  90.000
250806 10:36:57 : Using 90 indexed reflections for refinement (out of 101 spots used in indexing)
250806 10:36:57 : Fraction rejected reflections in refinement / used reflections in indexing: 0.109
250806 10:36:57 : RMS spot deviation: 0.057
250806 10:36:57 : Beam coordinates has been shifted by  -0.062 -0.101
250806 10:36:57 : Mosaicity: 0.770
250806 10:36:57 : Comparing solutions from 2 and 1
250806 10:36:57 : Orientation matrices agree
250806 10:36:57 : Comparing unit cells between overall and image 1
250806 10:36:57 : Solutions incompatible between all images and image 1
250806 10:36:57 : Check the rotation - perhaps the phi value has not been registered
250806 10:36:57 : Comparing unit cells between overall and image 2
250806 10:36:57 : Solutions incompatible between all images and image 2
250806 10:36:57 : Check the rotation - perhaps the phi value has not been registered
250806 10:36:57 : Solution comparson passed, nicely
250806 10:36:57 : Mosaic spreads varied by > 25%
250806 10:36:57 : Making jpeg images in /scisoft/users/svensson/tmp/srpol-HA00AG3240_1/srpol-HA00AG3240_1_dnafiles/index
250806 10:36:57 : Lattice: monoclinic   Assumed pointgroup: PG2
250806 10:36:57 : XML: <?xml version="1.0" encoding="ISO-8859-1"?><index_response><solution><lattice>monoclinic</lattice><pointgroup>PG2</pointgroup><initial><cell><a>341.850342</a><b>208.795120</b><c>171.062714</c><alpha>90.000000</alpha><beta>102.174767</beta><gamma>90.000000</gamma></cell><orientation_matrix><e11>-0.002556</e11><e12>0.005323</e12><e13>0.001611</e13><e21>0.004842</e21><e22>0.001392</e22><e23>-0.001012</e23><e31>-0.002405</e31><e32>-0.001282</e32><e33>-0.005315</e33></orientation_matrix></initial><number>2</number><spacegroup_number>5</spacegroup_number><orientation><cell><a>342.014862</a><b>208.712799</b><c>171.081726</c><alpha>90.000000</alpha><beta>102.140411</beta><gamma>90.000000</gamma></cell><a_matrix><e11>-0.002025</e11><e12>0.003319</e12><e13>-0.002415</e13><e21>-0.001864</e21><e22>-0.003483</e22><e23>-0.002567</e23><e31>-0.001208</e31><e32>-0.000190</e32><e33>0.004867</e33></a_matrix><u_matrix><e11>-0.673816</e11><e12>0.689293</e12><e13>-0.266171</e13><e21>-0.620111</e21><e22>-0.723406</e22><e23>-0.303557</e23><e31>-0.401789</e31><e32>-0.039486</e32><e33>0.914880</e33></u_matrix></orientation><refinement><beam_shift><shift><x>-0.062423</x><y>-0.101440</y></shift><new_beam><x>156.878571</x><y>158.746552</y></new_beam></beam_shift><reflections><used>90</used><used_in_indexing>101</used_in_indexing></reflections></refinement><spot_deviation>0.056757</spot_deviation><symmetry>C2</symmetry></solution><spot_search_response><found>875</found><rejected>286</rejected><used>589</used></spot_search_response><status><code>ok</code></status><lattice_character_response><lattice_character><number>1</number><penalty>0</penalty><lattice>aP</lattice><cell><a>171.062714</a><b>200.198486</b><c>200.372375</c><alpha>62.831436</alpha><beta>79.637550</beta><gamma>79.625389</gamma></cell></lattice_character><lattice_character><number>2</number><penalty>1</penalty><lattice>mC</lattice><cell><a>341.850342</a><b>208.795120</b><c>171.062714</c><alpha>90.002884</alpha><beta>102.174767</beta><gamma>90.055923</gamma></cell></lattice_character><lattice_character><number>3</number><penalty>37</penalty><lattice>aP</lattice><cell><a>171.062714</a><b>200.198502</b><c>208.795120</c><alpha>121.374992</alpha><beta>89.997124</beta><gamma>100.374611</gamma></cell></lattice_character><lattice_character><number>4</number><penalty>38</penalty><lattice>mC</lattice><cell><a>341.850311</a><b>208.795120</b><c>171.062698</c><alpha>90.002884</alpha><beta>102.174767</beta><gamma>90.055923</gamma></cell></lattice_character><lattice_character><number>5</number><penalty>102</penalty><lattice>mP</lattice><cell><a>200.198502</a><b>171.062714</b><c>208.795120</c><alpha>89.997124</alpha><beta>121.374992</beta><gamma>100.374611</gamma></cell></lattice_character><lattice_character><number>6</number><penalty>102</penalty><lattice>mC</lattice><cell><a>200.198502</a><b>356.944733</b><c>171.062714</c><alpha>84.206474</alpha><beta>100.374611</beta><gamma>87.235710</gamma></cell></lattice_character><lattice_character><number>7</number><penalty>104</penalty><lattice>oC</lattice><cell><a>208.795120</a><b>341.850311</b><c>171.062698</c><alpha>77.825233</alpha><beta>90.002884</beta><gamma>89.944084</gamma></cell></lattice_character><lattice_character><number>8</number><penalty>140</penalty><lattice>mC</lattice><cell><a>200.198502</a><b>356.944733</b><c>171.062714</c><alpha>84.206474</alpha><beta>100.374611</beta><gamma>87.235710</gamma></cell></lattice_character><lattice_character><number>9</number><penalty>140</penalty><lattice>oC</lattice><cell><a>200.198502</a><b>356.944733</b><c>171.062714</c><alpha>84.206474</alpha><beta>100.374611</beta><gamma>87.235710</gamma></cell></lattice_character><lattice_character><number>10</number><penalty>141</penalty><lattice>hP</lattice><cell><a>208.795135</a><b>200.372406</b><c>171.062714</c><alpha>100.362450</alpha><beta>90.002884</beta><gamma>121.456444</gamma></cell></lattice_character><lattice_character><number>11</number><penalty>217</penalty><lattice>mC</lattice><cell><a>406.092712</a><b>171.062698</b><c>208.795090</c><alpha>89.997116</alpha><beta>120.884804</beta><gamma>75.895973</gamma></cell></lattice_character><lattice_character><number>12</number><penalty>218</penalty><lattice>mI</lattice><cell><a>269.915253</a><b>348.509399</b><c>171.062698</c><alpha>106.497673</alpha><beta>129.325516</beta><gamma>79.675995</gamma></cell></lattice_character><lattice_character><number>13</number><penalty>218</penalty><lattice>oI</lattice><cell><a>171.062698</a><b>208.795120</b><c>348.509399</c><alpha>90.056267</alpha><beta>106.497673</beta><gamma>89.997116</gamma></cell></lattice_character><lattice_character><number>14</number><penalty>218</penalty><lattice>mC</lattice><cell><a>406.092712</a><b>171.062698</b><c>208.795090</c><alpha>89.997116</alpha><beta>120.884804</beta><gamma>75.895973</gamma></cell></lattice_character><lattice_character><number>15</number><penalty>245</penalty><lattice>mC</lattice><cell><a>285.790710</a><b>238.762283</b><c>200.372375</c><alpha>75.286369</alpha><beta>115.310547</beta><gamma>99.121178</gamma></cell></lattice_character><lattice_character><number>16</number><penalty>268</penalty><lattice>mP</lattice><cell><a>171.062714</a><b>208.795120</b><c>200.198502</c><alpha>121.374992</alpha><beta>100.374611</beta><gamma>89.997124</gamma></cell></lattice_character><lattice_character><number>17</number><penalty>269</penalty><lattice>mP</lattice><cell><a>171.062714</a><b>208.795120</b><c>200.198502</c><alpha>121.374992</alpha><beta>100.374611</beta><gamma>89.997124</gamma></cell></lattice_character><lattice_character><number>18</number><penalty>295</penalty><lattice>mC</lattice><cell><a>285.790741</a><b>238.762299</b><c>269.928589</c><alpha>88.813835</alpha><beta>137.851318</beta><gamma>80.878822</gamma></cell></lattice_character><lattice_character><number>19</number><penalty>310</penalty><lattice>mC</lattice><cell><a>285.790710</a><b>238.762283</b><c>200.372375</c><alpha>104.713631</alpha><beta>115.310547</beta><gamma>80.878822</gamma></cell></lattice_character><lattice_character><number>20</number><penalty>333</penalty><lattice>oI</lattice><cell><a>238.915665</a><b>269.915283</b><c>200.198486</c><alpha>73.225090</alpha><beta>75.285194</beta><gamma>88.878036</gamma></cell></lattice_character><lattice_character><number>21</number><penalty>334</penalty><lattice>oP</lattice><cell><a>171.062714</a><b>200.198502</b><c>208.795120</c><alpha>121.374992</alpha><beta>89.997124</beta><gamma>100.374611</gamma></cell></lattice_character><lattice_character><number>22</number><penalty>360</penalty><lattice>mC</lattice><cell><a>406.092712</a><b>171.062698</b><c>208.795090</c><alpha>89.997116</alpha><beta>120.884804</beta><gamma>75.895973</gamma></cell></lattice_character><lattice_character><number>23</number><penalty>361</penalty><lattice>oI</lattice><cell><a>171.062698</a><b>208.795120</b><c>348.509399</c><alpha>89.943733</alpha><beta>73.502327</beta><gamma>89.997116</gamma></cell></lattice_character><lattice_character><number>24</number><penalty>372</penalty><lattice>tP</lattice><cell><a>200.198502</a><b>208.795120</b><c>171.062714</c><alpha>89.997124</alpha><beta>100.374611</beta><gamma>121.374992</gamma></cell></lattice_character><lattice_character><number>25</number><penalty>375</penalty><lattice>hR</lattice><cell><a>238.762299</a><b>238.915665</b><c>413.266724</c><alpha>103.491966</alpha><beta>76.539726</beta><gamma>128.161469</gamma></cell></lattice_character><lattice_character><number>26</number><penalty>384</penalty><lattice>oC</lattice><cell><a>238.762299</a><b>285.790710</b><c>208.795105</c><alpha>111.391594</alpha><beta>115.881416</beta><gamma>80.878830</gamma></cell></lattice_character><lattice_character><number>27</number><penalty>398</penalty><lattice>tI</lattice><cell><a>269.915253</a><b>238.915649</b><c>200.198486</c><alpha>75.285194</alpha><beta>73.225090</beta><gamma>88.878036</gamma></cell></lattice_character><lattice_character><number>28</number><penalty>449</penalty><lattice>oC</lattice><cell><a>171.062714</a><b>406.092743</b><c>208.795105</c><alpha>59.115204</alpha><beta>89.997116</beta><gamma>104.104019</gamma></cell></lattice_character><lattice_character><number>29</number><penalty>449</penalty><lattice>oC</lattice><cell><a>171.062714</a><b>406.092743</b><c>208.795105</c><alpha>59.115204</alpha><beta>89.997116</beta><gamma>104.104019</gamma></cell></lattice_character><lattice_character><number>30</number><penalty>449</penalty><lattice>tP</lattice><cell><a>171.062714</a><b>200.198502</b><c>208.795120</c><alpha>121.374992</alpha><beta>89.997124</beta><gamma>100.374611</gamma></cell></lattice_character><lattice_character><number>31</number><penalty>487</penalty><lattice>cP</lattice><cell><a>171.062714</a><b>200.198502</b><c>208.795120</c><alpha>121.374992</alpha><beta>89.997124</beta><gamma>100.374611</gamma></cell></lattice_character><lattice_character><number>32</number><penalty>505</penalty><lattice>mC</lattice><cell><a>171.062714</a><b>406.092682</b><c>200.372345</c><alpha>68.010597</alpha><beta>100.362457</beta><gamma>75.895973</gamma></cell></lattice_character><lattice_character><number>33</number><penalty>505</penalty><lattice>mC</lattice><cell><a>171.062729</a><b>406.444458</b><c>200.198486</c><alpha>68.011909</alpha><beta>100.374619</beta><gamma>75.905388</gamma></cell></lattice_character><lattice_character><number>34</number><penalty>505</penalty><lattice>tI</lattice><cell><a>171.062729</a><b>200.198486</b><c>379.927307</c><alpha>82.738808</alpha><beta>69.181206</beta><gamma>79.625381</gamma></cell></lattice_character><lattice_character><number>35</number><penalty>527</penalty><lattice>oF</lattice><cell><a>238.762283</a><b>285.790680</b><c>379.927277</c><alpha>72.465797</alpha><beta>98.549286</beta><gamma>80.878822</gamma></cell></lattice_character><lattice_character><number>36</number><penalty>554</penalty><lattice>hR</lattice><cell><a>171.062714</a><b>238.762314</b><c>544.174866</c><alpha>78.620193</alpha><beta>100.480881</beta><gamma>124.434174</gamma></cell></lattice_character><lattice_character><number>37</number><penalty>555</penalty><lattice>cF</lattice><cell><a>269.915283</a><b>269.928589</b><c>348.509430</c><alpha>100.411987</alpha><beta>100.324013</beta><gamma>101.345497</gamma></cell></lattice_character><lattice_character><number>38</number><penalty>564</penalty><lattice>hP</lattice><cell><a>171.062714</a><b>200.198502</b><c>208.795120</c><alpha>121.374992</alpha><beta>89.997124</beta><gamma>100.374611</gamma></cell></lattice_character><lattice_character><number>39</number><penalty>565</penalty><lattice>tI</lattice><cell><a>200.372375</a><b>269.928589</b><c>238.762299</c><alpha>88.813835</alpha><beta>75.286369</beta><gamma>73.161858</gamma></cell></lattice_character><lattice_character><number>40</number><penalty>572</penalty><lattice>hR</lattice><cell><a>285.790680</a><b>238.915665</b><c>269.915314</c><alpha>88.878036</alpha><beta>100.203636</beta><gamma>99.226372</gamma></cell></lattice_character><lattice_character><number>41</number><penalty>643</penalty><lattice>hR</lattice><cell><a>348.509369</a><b>356.944733</b><c>171.062714</c><alpha>84.206474</alpha><beta>73.502335</beta><gamma>114.897675</gamma></cell></lattice_character><lattice_character><number>42</number><penalty>829</penalty><lattice>oF</lattice><cell><a>171.062714</a><b>406.092682</b><c>406.444427</c><alpha>61.852398</alpha><beta>104.094620</beta><gamma>104.104019</gamma></cell></lattice_character><lattice_character><number>43</number><penalty>830</penalty><lattice>tI</lattice><cell><a>208.795120</a><b>348.509399</b><c>171.062698</c><alpha>73.502327</alpha><beta>90.002884</beta><gamma>90.056267</gamma></cell></lattice_character><lattice_character><number>44</number><penalty>999</penalty><lattice>cI</lattice><cell><a>269.928589</a><b>238.762299</b><c>200.372375</c><alpha>75.286369</alpha><beta>73.161858</beta><gamma>88.813835</gamma></cell></lattice_character></lattice_character_response><mosaicity_value>0.770000</mosaicity_value></index_response>
250806 10:36:57 : Indexing successful! Now proceeding to integration of images.
250806 10:36:57 : XML: <?xml version="1.0" encoding="ISO-8859-1"?><single_integrate_request><image>1</image><image>2</image><fileinfo><directory>/scisoft/users/svensson/tmp/srpol-HA00AG3240_1</directory><prefix>ref-srpol-HA00AG3240</prefix><suffix>img</suffix><template>ref-srpol-HA00AG3240_1_###.img</template><run_number>1</run_number></fileinfo></single_integrate_request>
250806 10:36:57 : Starting single image integration...
250806 10:36:57 : Single integrating images:[1, 2]
250806 10:36:59 : Integrating image batch 1 to 1
250806 10:37:00 : Processing image 1
250806 10:37:03 : Integrating image 1
250806 10:37:04 : Reading stf file: /scisoft/users/svensson/tmp/srpol-HA00AG3240_1/tmp/integrate_1/mosflm.stf
250806 10:37:04 : Finished integrating batch 1 to 1
250806 10:37:04 : Copying log files to /scisoft/users/svensson/tmp/srpol-HA00AG3240_1/srpol-HA00AG3240_1_dnafiles
250806 10:37:04 : Integrating image batch 2 to 2
250806 10:37:05 : Processing image 2
250806 10:37:08 : Integrating image 2
250806 10:37:09 : Reading stf file: /scisoft/users/svensson/tmp/srpol-HA00AG3240_1/tmp/integrate_2/mosflm.stf
250806 10:37:09 : Finished integrating batch 2 to 2
250806 10:37:09 : Copying log files to /scisoft/users/svensson/tmp/srpol-HA00AG3240_1/srpol-HA00AG3240_1_dnafiles
250806 10:37:09 : Error integrating reference images!
250806 10:37:09 : XML: <?xml version="1.0" encoding="ISO-8859-1"?><integrate_response><status><code>error</code><message>Error getting something from the integration output (table not found summary_information) - check this!</message></status></integrate_response>
250806 10:37:09 : ERROR after integration of reference images: Error getting something from the integration output (table not found summary_information) - check this!
250806 10:37:09 : Screening results not stored in data base: No valid Data Collection Id
250806 10:37:09 : End of benchmark
250806 10:37:09 : Shutting down the ExecutiveSystem
250806 10:37:10 : Shutting down the DNA logger
