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how_to:recomputeretentiontime [2010/07/20 09:24]
132.168.74.230
how_to:recomputeretentiontime [2010/08/04 12:10] (current)
132.168.74.230
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 See [[userguide:​retentiontimerecomputing|Retention Time Recomputing principles]] if needed. See [[userguide:​retentiontimerecomputing|Retention Time Recomputing principles]] if needed.
 +
 +:!: **If you recompute retention time for a given User context, it will not automatically recompute retention time for child contexts (i.e. contexts under the selected context, if exist).\\
 +:!: At present, you need to recompute retention time of all your context tree '​manually'​. For that, no specific order is needed as final child species are used.**
  
 ===== Run the Retention Time Recomputing algorithm ===== ===== Run the Retention Time Recomputing algorithm =====
  
 {{ :​how_to:​rtrecomputingmenu.png |}} {{ :​how_to:​rtrecomputingmenu.png |}}
 +
 +:!: **Required conditions to run the Retention Time Recomputing algorithm:​**
 +
 +  * **Selected User context must be grouped**
 +  * **Protein Grouping on the selected User context must be saved to MSIdb**
 +
 +If above conditions are respected, then follow these steps:
  
   - Select the User context for which you want to recompute retention time   - Select the User context for which you want to recompute retention time
 +  - To display the settings dialog:
 +      * Right-click on the selected context and select Algorithms→Retention Time→Retention Time Recomputing
 +      * Or, from the main toolbar, select MS Identifications→Context→Algorithms→Retention Time→Retention Time Recomputing
   - Go to the ''​MS Identifications→Context→Algorithms→Retention Time Recomputing''​ to display settings dialog   - Go to the ''​MS Identifications→Context→Algorithms→Retention Time Recomputing''​ to display settings dialog
   - Change algo settings options (see below) if needed and click the ''​Ok''​ button   - Change algo settings options (see below) if needed and click the ''​Ok''​ button
  
-===== Algo settings options =====+===== Algo settings options ​(default options are generally optimal) ​=====
  
 On top of the dialog, is displayed the User context to process. On top of the dialog, is displayed the User context to process.
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 **Retention Time Alignment panel** **Retention Time Alignment panel**
  
-  * ''​Use alignment coefficients'':​ if alignment ​+  * ''​Use alignment coefficients'':​ if you have previously run the [[how_to:​alignretentiontime|Retention Time Alignment algorithm]] (on the same UserContext you want to recompute RT) and if you want to take into account the alignment ​coefficients in the retention time computing, check this option
  
 **Outliers panel** **Outliers panel**
  
-  * ''​Don'​t take into account outliers'':​ check this box if you want the algorithm to skip final outliers species (based on Grubbs)+  * ''​Don'​t take into account outliers'':​ check this option ​if you want the algorithm to skip final outliers species (based on [[http://​en.wikipedia.org/​wiki/​Grubbs%27_test_for_outliers|Grubbs method]])
  
 **Computing Method panel** **Computing Method panel**
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 Retention times are replaced by new recomputed values for species belonging strictly to the selected User context.\\ Retention times are replaced by new recomputed values for species belonging strictly to the selected User context.\\
-:​!:​**ATTENTION**:​ if other contexts exist below, ​the species retention times are not recomputed.+:​!:​**ATTENTION**:​ if other contexts exist below this selected User contexttheir species retention times are not recomputed.
  
 {{:​how_to:​rtrecomputingresult.png|}} {{:​how_to:​rtrecomputingresult.png|}}
how_to/recomputeretentiontime.1279610652.txt.gz · Last modified: 2010/07/20 09:24 by 132.168.74.230