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dials · Aug 28, 2024 · a630f90 · a630f90
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diff --git a/documentation/tutorials/mpro_x0692.html b/documentation/tutorials/mpro_x0692.html
@@ -2149,12 +2149,12 @@ <h3>Integration<a class="headerlink" href="#integration" title="Link to this hea
 <span class="linenos"> 548</span>
 <span class="linenos"> 549</span>Timing information for reference profile formation
 <span class="linenos"> 550</span>+-------------------+---------------+
-<span class="linenos"> 551</span>| Read time         | 16.29 seconds |
-<span class="linenos"> 552</span>| Extract time      | 0.33 seconds  |
+<span class="linenos"> 551</span>| Read time         | 20.88 seconds |
+<span class="linenos"> 552</span>| Extract time      | 0.56 seconds  |
 <span class="linenos"> 553</span>| Pre-process time  | 0.02 seconds  |
-<span class="linenos"> 554</span>| Process time      | 8.38 seconds  |
+<span class="linenos"> 554</span>| Process time      | 8.31 seconds  |
 <span class="linenos"> 555</span>| Post-process time | 0.00 seconds  |
-<span class="linenos"> 556</span>| Total time        | 25.21 seconds |
+<span class="linenos"> 556</span>| Total time        | 29.78 seconds |
 <span class="linenos"> 557</span>+-------------------+---------------+
 <span class="linenos"> 558</span>
 <span class="linenos"> 559</span>================================================================================
@@ -2685,12 +2685,12 @@ <h3>Integration<a class="headerlink" href="#integration" title="Link to this hea
 <span class="linenos">1084</span>
 <span class="linenos">1085</span>Timing information for integration
 <span class="linenos">1086</span>+-------------------+----------------+
-<span class="linenos">1087</span>| Read time         | 21.64 seconds  |
-<span class="linenos">1088</span>| Extract time      | 6.49 seconds   |
+<span class="linenos">1087</span>| Read time         | 24.18 seconds  |
+<span class="linenos">1088</span>| Extract time      | 6.89 seconds   |
 <span class="linenos">1089</span>| Pre-process time  | 0.25 seconds   |
-<span class="linenos">1090</span>| Process time      | 125.92 seconds |
+<span class="linenos">1090</span>| Process time      | 126.43 seconds |
 <span class="linenos">1091</span>| Post-process time | 0.00 seconds   |
-<span class="linenos">1092</span>| Total time        | 155.02 seconds |
+<span class="linenos">1092</span>| Total time        | 158.64 seconds |
 <span class="linenos">1093</span>+-------------------+----------------+
 <span class="linenos">1094</span>
 <span class="linenos">1095</span>Removing 22837 unintegrated reflections of 199395 total
@@ -2983,7 +2983,7 @@ <h3>Scaling and Merging<a class="headerlink" href="#scaling-and-merging" title="
 <span class="linenos"> 67</span>Components to be refined in this cycle for all datasets: scale, decay, absorption
 <span class="linenos"> 68</span>Performing a round of scaling with an LBFGS minimizer. 
 <span class="linenos"> 69</span>
-<span class="linenos"> 70</span>Time taken for refinement 6.90
+<span class="linenos"> 70</span>Time taken for refinement 7.02
 <span class="linenos"> 71</span>
 <span class="linenos"> 72</span>Refinement steps:
 <span class="linenos"> 73</span>+--------+--------+----------+
@@ -3062,7 +3062,7 @@ <h3>Scaling and Merging<a class="headerlink" href="#scaling-and-merging" title="
 <span class="linenos">146</span>Components to be refined in this cycle for all datasets: scale, decay, absorption
 <span class="linenos">147</span>Performing a round of scaling with an LBFGS minimizer. 
 <span class="linenos">148</span>
-<span class="linenos">149</span>Time taken for refinement 3.04
+<span class="linenos">149</span>Time taken for refinement 3.08
 <span class="linenos">150</span>
 <span class="linenos">151</span>Refinement steps:
 <span class="linenos">152</span>+--------+--------+----------+
@@ -3125,7 +3125,7 @@ <h3>Scaling and Merging<a class="headerlink" href="#scaling-and-merging" title="
 <span class="linenos">209</span>Components to be refined in this cycle for all datasets: scale, decay, absorption
 <span class="linenos">210</span>Performing a round of scaling with a Levenberg-Marquardt minimizer.
 <span class="linenos">211</span>
-<span class="linenos">212</span>Time taken for refinement 4.22
+<span class="linenos">212</span>Time taken for refinement 4.27
 <span class="linenos">213</span>
 <span class="linenos">214</span>Refinement steps:
 <span class="linenos">215</span>+--------+--------+----------+
@@ -3199,7 +3199,7 @@ <h3>Scaling and Merging<a class="headerlink" href="#scaling-and-merging" title="
 <span class="linenos">283</span>The reflection table variances have been adjusted to account for the
 <span class="linenos">284</span>uncertainty in the scaling model
 <span class="linenos">285</span>
-<span class="linenos">286</span>Total time taken: 20.6054s 
+<span class="linenos">286</span>Total time taken: 20.9123s 
 <span class="linenos">287</span>
 <span class="linenos">288</span>================================================================================
 <span class="linenos">289</span>

diff --git a/documentation/tutorials/multi_crystal_symmetry_and_scaling.html b/documentation/tutorials/multi_crystal_symmetry_and_scaling.html
@@ -722,7 +722,7 @@ <h2>Manual reprocessing<a class="headerlink" href="#manual-reprocessing" title="
 <span class="n">Components</span> <span class="n">to</span> <span class="n">be</span> <span class="n">refined</span> <span class="ow">in</span> <span class="n">this</span> <span class="n">cycle</span> <span class="k">for</span> <span class="nb">all</span> <span class="n">datasets</span><span class="p">:</span> <span class="n">scale</span><span class="p">,</span> <span class="n">decay</span><span class="p">,</span> <span class="n">absorption</span>
 <span class="n">Performing</span> <span class="n">a</span> <span class="nb">round</span> <span class="n">of</span> <span class="n">scaling</span> <span class="k">with</span> <span class="n">an</span> <span class="n">LBFGS</span> <span class="n">minimizer</span><span class="o">.</span> 
 
-<span class="n">Time</span> <span class="n">taken</span> <span class="k">for</span> <span class="n">refinement</span> <span class="mf">1.56</span>
+<span class="n">Time</span> <span class="n">taken</span> <span class="k">for</span> <span class="n">refinement</span> <span class="mf">1.58</span>
 
 <span class="n">Refinement</span> <span class="n">steps</span><span class="p">:</span>
 <span class="o">+--------+--------+----------+</span>
@@ -766,7 +766,7 @@ <h2>Manual reprocessing<a class="headerlink" href="#manual-reprocessing" title="
 <span class="n">Components</span> <span class="n">to</span> <span class="n">be</span> <span class="n">refined</span> <span class="ow">in</span> <span class="n">this</span> <span class="n">cycle</span> <span class="k">for</span> <span class="nb">all</span> <span class="n">datasets</span><span class="p">:</span> <span class="n">scale</span><span class="p">,</span> <span class="n">decay</span><span class="p">,</span> <span class="n">absorption</span>
 <span class="n">Performing</span> <span class="n">a</span> <span class="nb">round</span> <span class="n">of</span> <span class="n">scaling</span> <span class="k">with</span> <span class="n">an</span> <span class="n">LBFGS</span> <span class="n">minimizer</span><span class="o">.</span> 
 
-<span class="n">Time</span> <span class="n">taken</span> <span class="k">for</span> <span class="n">refinement</span> <span class="mf">1.17</span>
+<span class="n">Time</span> <span class="n">taken</span> <span class="k">for</span> <span class="n">refinement</span> <span class="mf">1.18</span>
 
 <span class="n">Refinement</span> <span class="n">steps</span><span class="p">:</span>
 <span class="o">+--------+--------+----------+</span>
@@ -819,7 +819,7 @@ <h2>Manual reprocessing<a class="headerlink" href="#manual-reprocessing" title="
 <span class="n">Components</span> <span class="n">to</span> <span class="n">be</span> <span class="n">refined</span> <span class="ow">in</span> <span class="n">this</span> <span class="n">cycle</span> <span class="k">for</span> <span class="nb">all</span> <span class="n">datasets</span><span class="p">:</span> <span class="n">scale</span><span class="p">,</span> <span class="n">decay</span><span class="p">,</span> <span class="n">absorption</span>
 <span class="n">Performing</span> <span class="n">a</span> <span class="nb">round</span> <span class="n">of</span> <span class="n">scaling</span> <span class="k">with</span> <span class="n">a</span> <span class="n">Levenberg</span><span class="o">-</span><span class="n">Marquardt</span> <span class="n">minimizer</span><span class="o">.</span>
 
-<span class="n">Time</span> <span class="n">taken</span> <span class="k">for</span> <span class="n">refinement</span> <span class="mf">10.82</span>
+<span class="n">Time</span> <span class="n">taken</span> <span class="k">for</span> <span class="n">refinement</span> <span class="mf">10.92</span>
 
 <span class="n">Refinement</span> <span class="n">steps</span><span class="p">:</span>
 <span class="o">+--------+--------+----------+</span>
@@ -840,7 +840,7 @@ <h2>Manual reprocessing<a class="headerlink" href="#manual-reprocessing" title="
 <span class="n">Components</span> <span class="n">to</span> <span class="n">be</span> <span class="n">refined</span> <span class="ow">in</span> <span class="n">this</span> <span class="n">cycle</span> <span class="k">for</span> <span class="nb">all</span> <span class="n">datasets</span><span class="p">:</span> <span class="n">scale</span><span class="p">,</span> <span class="n">decay</span><span class="p">,</span> <span class="n">absorption</span>
 <span class="n">Performing</span> <span class="n">a</span> <span class="nb">round</span> <span class="n">of</span> <span class="n">scaling</span> <span class="k">with</span> <span class="n">a</span> <span class="n">Levenberg</span><span class="o">-</span><span class="n">Marquardt</span> <span class="n">minimizer</span><span class="o">.</span>
 
-<span class="n">Time</span> <span class="n">taken</span> <span class="k">for</span> <span class="n">refinement</span> <span class="mf">3.51</span>
+<span class="n">Time</span> <span class="n">taken</span> <span class="k">for</span> <span class="n">refinement</span> <span class="mf">3.54</span>
 
 <span class="n">Refinement</span> <span class="n">steps</span><span class="p">:</span>
 <span class="o">+--------+--------+----------+</span>
@@ -894,7 +894,7 @@ <h2>Manual reprocessing<a class="headerlink" href="#manual-reprocessing" title="
 <span class="n">uncertainty</span> <span class="ow">in</span> <span class="n">the</span> <span class="n">scaling</span> <span class="n">models</span> <span class="k">for</span> <span class="nb">all</span> <span class="n">datasets</span>
 <span class="n">Using</span> <span class="n">median</span> <span class="n">unit</span> <span class="n">cell</span> <span class="n">across</span> <span class="n">experiments</span> <span class="p">:</span> <span class="p">(</span><span class="mf">68.3603</span><span class="p">,</span> <span class="mf">68.3603</span><span class="p">,</span> <span class="mf">103.953</span><span class="p">,</span> <span class="mi">90</span><span class="p">,</span> <span class="mi">90</span><span class="p">,</span> <span class="mi">90</span><span class="p">)</span>
 
-<span class="n">Total</span> <span class="n">time</span> <span class="n">taken</span><span class="p">:</span> <span class="mf">23.4182</span><span class="n">s</span> 
+<span class="n">Total</span> <span class="n">time</span> <span class="n">taken</span><span class="p">:</span> <span class="mf">23.6294</span><span class="n">s</span> 
 
 <span class="o">================================================================================</span>
 
@@ -1391,7 +1391,7 @@ <h2>Almost there<a class="headerlink" href="#almost-there" title="Link to this h
 <span class="n">Components</span> <span class="n">to</span> <span class="n">be</span> <span class="n">refined</span> <span class="ow">in</span> <span class="n">this</span> <span class="n">cycle</span> <span class="k">for</span> <span class="nb">all</span> <span class="n">datasets</span><span class="p">:</span> <span class="n">scale</span><span class="p">,</span> <span class="n">decay</span><span class="p">,</span> <span class="n">absorption</span>
 <span class="n">Performing</span> <span class="n">a</span> <span class="nb">round</span> <span class="n">of</span> <span class="n">scaling</span> <span class="k">with</span> <span class="n">a</span> <span class="n">Levenberg</span><span class="o">-</span><span class="n">Marquardt</span> <span class="n">minimizer</span><span class="o">.</span>
 
-<span class="n">Time</span> <span class="n">taken</span> <span class="k">for</span> <span class="n">refinement</span> <span class="mf">8.79</span>
+<span class="n">Time</span> <span class="n">taken</span> <span class="k">for</span> <span class="n">refinement</span> <span class="mf">9.00</span>
 
 <span class="n">Refinement</span> <span class="n">steps</span><span class="p">:</span>
 <span class="o">+--------+--------+----------+</span>
@@ -1411,7 +1411,7 @@ <h2>Almost there<a class="headerlink" href="#almost-there" title="Link to this h
 <span class="n">Components</span> <span class="n">to</span> <span class="n">be</span> <span class="n">refined</span> <span class="ow">in</span> <span class="n">this</span> <span class="n">cycle</span> <span class="k">for</span> <span class="nb">all</span> <span class="n">datasets</span><span class="p">:</span> <span class="n">scale</span><span class="p">,</span> <span class="n">decay</span><span class="p">,</span> <span class="n">absorption</span>
 <span class="n">Performing</span> <span class="n">a</span> <span class="nb">round</span> <span class="n">of</span> <span class="n">scaling</span> <span class="k">with</span> <span class="n">a</span> <span class="n">Levenberg</span><span class="o">-</span><span class="n">Marquardt</span> <span class="n">minimizer</span><span class="o">.</span>
 
-<span class="n">Time</span> <span class="n">taken</span> <span class="k">for</span> <span class="n">refinement</span> <span class="mf">3.42</span>
+<span class="n">Time</span> <span class="n">taken</span> <span class="k">for</span> <span class="n">refinement</span> <span class="mf">3.50</span>
 
 <span class="n">Refinement</span> <span class="n">steps</span><span class="p">:</span>
 <span class="o">+--------+--------+----------+</span>
@@ -1465,7 +1465,7 @@ <h2>Almost there<a class="headerlink" href="#almost-there" title="Link to this h
 <span class="n">uncertainty</span> <span class="ow">in</span> <span class="n">the</span> <span class="n">scaling</span> <span class="n">models</span> <span class="k">for</span> <span class="nb">all</span> <span class="n">datasets</span>
 <span class="n">Using</span> <span class="n">median</span> <span class="n">unit</span> <span class="n">cell</span> <span class="n">across</span> <span class="n">experiments</span> <span class="p">:</span> <span class="p">(</span><span class="mf">68.3603</span><span class="p">,</span> <span class="mf">68.3603</span><span class="p">,</span> <span class="mf">103.953</span><span class="p">,</span> <span class="mi">90</span><span class="p">,</span> <span class="mi">90</span><span class="p">,</span> <span class="mi">90</span><span class="p">)</span>
 
-<span class="n">Total</span> <span class="n">time</span> <span class="n">taken</span><span class="p">:</span> <span class="mf">19.8734</span><span class="n">s</span> 
+<span class="n">Total</span> <span class="n">time</span> <span class="n">taken</span><span class="p">:</span> <span class="mf">20.3188</span><span class="n">s</span> 
 
 <span class="o">================================================================================</span>
 
@@ -2040,7 +2040,7 @@ <h2>Almost there<a class="headerlink" href="#almost-there" title="Link to this h
 <span class="n">DANO</span>         <span class="n">D</span>  <span class="mi">1</span>     <span class="o">-</span><span class="mf">3.81385</span>    <span class="mf">3.46364</span>
 <span class="n">SIGDANO</span>      <span class="n">Q</span>  <span class="mi">1</span>    <span class="mf">0.0799557</span>    <span class="mf">1.60514</span>
 <span class="n">History</span> <span class="p">(</span><span class="mi">1</span> <span class="n">lines</span><span class="p">):</span>
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