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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)
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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**
how_to/recomputeretentiontime.1279610688.txt.gz · Last modified: 2010/07/20 09:24 by 132.168.74.230