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documentation/programs/xia2_multiplex.html

Lines changed: 44 additions & 44 deletions
Original file line numberDiff line numberDiff line change
@@ -153,17 +153,6 @@ <h2>Basic parameters<a class="headerlink" href="#basic-parameters" title="Link t
153153
<span class="n">emax</span> <span class="o">=</span> <span class="mi">4</span>
154154
<span class="p">}</span>
155155
<span class="n">rescale_after_resolution_cutoff</span> <span class="o">=</span> <span class="kc">False</span>
156-
<span class="n">filtering</span> <span class="p">{</span>
157-
<span class="n">method</span> <span class="o">=</span> <span class="kc">None</span> <span class="n">deltacchalf</span>
158-
<span class="n">deltacchalf</span> <span class="p">{</span>
159-
<span class="n">max_cycles</span> <span class="o">=</span> <span class="kc">None</span>
160-
<span class="n">max_percent_removed</span> <span class="o">=</span> <span class="kc">None</span>
161-
<span class="n">min_completeness</span> <span class="o">=</span> <span class="kc">None</span>
162-
<span class="n">mode</span> <span class="o">=</span> <span class="n">dataset</span> <span class="n">image_group</span>
163-
<span class="n">group_size</span> <span class="o">=</span> <span class="kc">None</span>
164-
<span class="n">stdcutoff</span> <span class="o">=</span> <span class="kc">None</span>
165-
<span class="p">}</span>
166-
<span class="p">}</span>
167156
<span class="n">multi_crystal_analysis</span> <span class="p">{</span>
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<span class="n">unit_cell</span> <span class="o">=</span> <span class="kc">None</span>
169158
<span class="n">n_bins</span> <span class="o">=</span> <span class="mi">20</span>
@@ -194,6 +183,17 @@ <h2>Basic parameters<a class="headerlink" href="#basic-parameters" title="Link t
194183
<span class="n">distinct_clusters</span> <span class="o">=</span> <span class="kc">False</span>
195184
<span class="p">}</span>
196185
<span class="p">}</span>
186+
<span class="n">filtering</span> <span class="p">{</span>
187+
<span class="n">method</span> <span class="o">=</span> <span class="kc">None</span> <span class="n">deltacchalf</span>
188+
<span class="n">deltacchalf</span> <span class="p">{</span>
189+
<span class="n">max_cycles</span> <span class="o">=</span> <span class="kc">None</span>
190+
<span class="n">max_percent_removed</span> <span class="o">=</span> <span class="kc">None</span>
191+
<span class="n">min_completeness</span> <span class="o">=</span> <span class="kc">None</span>
192+
<span class="n">mode</span> <span class="o">=</span> <span class="n">dataset</span> <span class="n">image_group</span>
193+
<span class="n">group_size</span> <span class="o">=</span> <span class="kc">None</span>
194+
<span class="n">stdcutoff</span> <span class="o">=</span> <span class="kc">None</span>
195+
<span class="p">}</span>
196+
<span class="p">}</span>
197197
<span class="n">identifiers</span> <span class="o">=</span> <span class="kc">None</span>
198198
<span class="n">dose</span> <span class="o">=</span> <span class="kc">None</span>
199199
<span class="n">nproc</span> <span class="o">=</span> <span class="n">Auto</span>
@@ -522,39 +522,6 @@ <h2>Full parameter definitions<a class="headerlink" href="#full-parameter-defini
522522
<span class="o">.</span><span class="n">help</span> <span class="o">=</span> <span class="s2">&quot;Re-scale the data after application of a resolution cutoff&quot;</span>
523523
<span class="o">.</span><span class="n">short_caption</span> <span class="o">=</span> <span class="s2">&quot;Rescale after resolution cutoff&quot;</span>
524524
<span class="o">.</span><span class="n">type</span> <span class="o">=</span> <span class="nb">bool</span>
525-
<span class="n">filtering</span>
526-
<span class="o">.</span><span class="n">short_caption</span> <span class="o">=</span> <span class="n">Filtering</span>
527-
<span class="p">{</span>
528-
<span class="n">method</span> <span class="o">=</span> <span class="kc">None</span> <span class="n">deltacchalf</span>
529-
<span class="o">.</span><span class="n">help</span> <span class="o">=</span> <span class="s2">&quot;Choice of whether to do any filtering cycles, default None.&quot;</span>
530-
<span class="o">.</span><span class="n">type</span> <span class="o">=</span> <span class="n">choice</span>
531-
<span class="n">deltacchalf</span>
532-
<span class="o">.</span><span class="n">short_caption</span> <span class="o">=</span> <span class="s2">&quot;ΔCC½&quot;</span>
533-
<span class="p">{</span>
534-
<span class="n">max_cycles</span> <span class="o">=</span> <span class="kc">None</span>
535-
<span class="o">.</span><span class="n">short_caption</span> <span class="o">=</span> <span class="s2">&quot;Maximum number of cycles&quot;</span>
536-
<span class="o">.</span><span class="n">type</span> <span class="o">=</span> <span class="nb">int</span><span class="p">(</span><span class="n">value_min</span><span class="o">=</span><span class="mi">1</span><span class="p">,</span> <span class="n">allow_none</span><span class="o">=</span><span class="kc">True</span><span class="p">)</span>
537-
<span class="n">max_percent_removed</span> <span class="o">=</span> <span class="kc">None</span>
538-
<span class="o">.</span><span class="n">short_caption</span> <span class="o">=</span> <span class="s2">&quot;Maximum percentage removed&quot;</span>
539-
<span class="o">.</span><span class="n">type</span> <span class="o">=</span> <span class="nb">float</span><span class="p">(</span><span class="n">allow_none</span><span class="o">=</span><span class="kc">True</span><span class="p">)</span>
540-
<span class="n">min_completeness</span> <span class="o">=</span> <span class="kc">None</span>
541-
<span class="o">.</span><span class="n">help</span> <span class="o">=</span> <span class="s2">&quot;Desired minimum completeness, as a percentage (0 - 100).&quot;</span>
542-
<span class="o">.</span><span class="n">short_caption</span> <span class="o">=</span> <span class="s2">&quot;Minimum completeness&quot;</span>
543-
<span class="o">.</span><span class="n">type</span> <span class="o">=</span> <span class="nb">float</span><span class="p">(</span><span class="n">value_min</span><span class="o">=</span><span class="mi">0</span><span class="p">,</span> <span class="n">value_max</span><span class="o">=</span><span class="mi">100</span><span class="p">,</span> <span class="n">allow_none</span><span class="o">=</span><span class="kc">True</span><span class="p">)</span>
544-
<span class="n">mode</span> <span class="o">=</span> <span class="n">dataset</span> <span class="n">image_group</span>
545-
<span class="o">.</span><span class="n">help</span> <span class="o">=</span> <span class="s2">&quot;Perform analysis on whole datasets or batch groups&quot;</span>
546-
<span class="o">.</span><span class="n">type</span> <span class="o">=</span> <span class="n">choice</span>
547-
<span class="n">group_size</span> <span class="o">=</span> <span class="kc">None</span>
548-
<span class="o">.</span><span class="n">help</span> <span class="o">=</span> <span class="s2">&quot;The number of images to group together when calculating delta&quot;</span>
549-
<span class="s2">&quot;cchalf in image_group mode&quot;</span>
550-
<span class="o">.</span><span class="n">short_caption</span> <span class="o">=</span> <span class="s2">&quot;Group size&quot;</span>
551-
<span class="o">.</span><span class="n">type</span> <span class="o">=</span> <span class="nb">int</span><span class="p">(</span><span class="n">value_min</span><span class="o">=</span><span class="mi">1</span><span class="p">,</span> <span class="n">allow_none</span><span class="o">=</span><span class="kc">True</span><span class="p">)</span>
552-
<span class="n">stdcutoff</span> <span class="o">=</span> <span class="kc">None</span>
553-
<span class="o">.</span><span class="n">help</span> <span class="o">=</span> <span class="s2">&quot;Datasets with a ΔCC½ below (mean - stdcutoff*std) are removed&quot;</span>
554-
<span class="o">.</span><span class="n">short_caption</span> <span class="o">=</span> <span class="s2">&quot;Standard deviation cutoff&quot;</span>
555-
<span class="o">.</span><span class="n">type</span> <span class="o">=</span> <span class="nb">float</span><span class="p">(</span><span class="n">allow_none</span><span class="o">=</span><span class="kc">True</span><span class="p">)</span>
556-
<span class="p">}</span>
557-
<span class="p">}</span>
558525
<span class="n">multi_crystal_analysis</span> <span class="p">{</span>
559526
<span class="n">unit_cell</span> <span class="o">=</span> <span class="kc">None</span>
560527
<span class="o">.</span><span class="n">short_caption</span> <span class="o">=</span> <span class="s2">&quot;Unit cell&quot;</span>
@@ -637,6 +604,39 @@ <h2>Full parameter definitions<a class="headerlink" href="#full-parameter-defini
637604
<span class="o">.</span><span class="n">type</span> <span class="o">=</span> <span class="nb">bool</span>
638605
<span class="p">}</span>
639606
<span class="p">}</span>
607+
<span class="n">filtering</span>
608+
<span class="o">.</span><span class="n">short_caption</span> <span class="o">=</span> <span class="n">Filtering</span>
609+
<span class="p">{</span>
610+
<span class="n">method</span> <span class="o">=</span> <span class="kc">None</span> <span class="n">deltacchalf</span>
611+
<span class="o">.</span><span class="n">help</span> <span class="o">=</span> <span class="s2">&quot;Choice of whether to do any filtering cycles, default None.&quot;</span>
612+
<span class="o">.</span><span class="n">type</span> <span class="o">=</span> <span class="n">choice</span>
613+
<span class="n">deltacchalf</span>
614+
<span class="o">.</span><span class="n">short_caption</span> <span class="o">=</span> <span class="s2">&quot;ΔCC½&quot;</span>
615+
<span class="p">{</span>
616+
<span class="n">max_cycles</span> <span class="o">=</span> <span class="kc">None</span>
617+
<span class="o">.</span><span class="n">short_caption</span> <span class="o">=</span> <span class="s2">&quot;Maximum number of cycles&quot;</span>
618+
<span class="o">.</span><span class="n">type</span> <span class="o">=</span> <span class="nb">int</span><span class="p">(</span><span class="n">value_min</span><span class="o">=</span><span class="mi">1</span><span class="p">,</span> <span class="n">allow_none</span><span class="o">=</span><span class="kc">True</span><span class="p">)</span>
619+
<span class="n">max_percent_removed</span> <span class="o">=</span> <span class="kc">None</span>
620+
<span class="o">.</span><span class="n">short_caption</span> <span class="o">=</span> <span class="s2">&quot;Maximum percentage removed&quot;</span>
621+
<span class="o">.</span><span class="n">type</span> <span class="o">=</span> <span class="nb">float</span><span class="p">(</span><span class="n">allow_none</span><span class="o">=</span><span class="kc">True</span><span class="p">)</span>
622+
<span class="n">min_completeness</span> <span class="o">=</span> <span class="kc">None</span>
623+
<span class="o">.</span><span class="n">help</span> <span class="o">=</span> <span class="s2">&quot;Desired minimum completeness, as a percentage (0 - 100).&quot;</span>
624+
<span class="o">.</span><span class="n">short_caption</span> <span class="o">=</span> <span class="s2">&quot;Minimum completeness&quot;</span>
625+
<span class="o">.</span><span class="n">type</span> <span class="o">=</span> <span class="nb">float</span><span class="p">(</span><span class="n">value_min</span><span class="o">=</span><span class="mi">0</span><span class="p">,</span> <span class="n">value_max</span><span class="o">=</span><span class="mi">100</span><span class="p">,</span> <span class="n">allow_none</span><span class="o">=</span><span class="kc">True</span><span class="p">)</span>
626+
<span class="n">mode</span> <span class="o">=</span> <span class="n">dataset</span> <span class="n">image_group</span>
627+
<span class="o">.</span><span class="n">help</span> <span class="o">=</span> <span class="s2">&quot;Perform analysis on whole datasets or batch groups&quot;</span>
628+
<span class="o">.</span><span class="n">type</span> <span class="o">=</span> <span class="n">choice</span>
629+
<span class="n">group_size</span> <span class="o">=</span> <span class="kc">None</span>
630+
<span class="o">.</span><span class="n">help</span> <span class="o">=</span> <span class="s2">&quot;The number of images to group together when calculating delta&quot;</span>
631+
<span class="s2">&quot;cchalf in image_group mode&quot;</span>
632+
<span class="o">.</span><span class="n">short_caption</span> <span class="o">=</span> <span class="s2">&quot;Group size&quot;</span>
633+
<span class="o">.</span><span class="n">type</span> <span class="o">=</span> <span class="nb">int</span><span class="p">(</span><span class="n">value_min</span><span class="o">=</span><span class="mi">1</span><span class="p">,</span> <span class="n">allow_none</span><span class="o">=</span><span class="kc">True</span><span class="p">)</span>
634+
<span class="n">stdcutoff</span> <span class="o">=</span> <span class="kc">None</span>
635+
<span class="o">.</span><span class="n">help</span> <span class="o">=</span> <span class="s2">&quot;Datasets with a ΔCC½ below (mean - stdcutoff*std) are removed&quot;</span>
636+
<span class="o">.</span><span class="n">short_caption</span> <span class="o">=</span> <span class="s2">&quot;Standard deviation cutoff&quot;</span>
637+
<span class="o">.</span><span class="n">type</span> <span class="o">=</span> <span class="nb">float</span><span class="p">(</span><span class="n">allow_none</span><span class="o">=</span><span class="kc">True</span><span class="p">)</span>
638+
<span class="p">}</span>
639+
<span class="p">}</span>
640640
<span class="n">identifiers</span> <span class="o">=</span> <span class="kc">None</span>
641641
<span class="o">.</span><span class="n">help</span> <span class="o">=</span> <span class="s2">&quot;Unique DIALS identifiers of experiments to be merged&quot;</span>
642642
<span class="o">.</span><span class="n">short_caption</span> <span class="o">=</span> <span class="n">Identifiers</span>

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