question about grouping in report template/ intelligent reporting in Open Lab CDS 2.5

Question

Hello 
 I have a question about grouping in the report template/intelligent reporting in Open Lab CDS 2.5. (what is the difference?) 
 I am currently working on grouping three different injections of the same sample. The grouping parameters i have currently set to this: = IF ( Compound_Name = "" , round ( Peak_RetentionTime , 2 ) , Compound_Name ) This works perfectly for my named peaks, however when an unknown has a retention time of 0.01 more or less in one of the injections, they are obviously not grouped. How can i change my formula to include RT +/- 0.01

Andy Wright · Accepted Answer

Hi dwaelsve 
 How to... 
 Open the custom calculation editor from the Processing tab in the ribbon in Data Analysis 
 
 Create a new custom calculation file and add a formula like this one (in this case, I've rounded to 1 decimal place to get consistency between all of the samples) 
 
 Save the custom calculation file and add it to the processing method. Reprocess and you should see an extra column in the Results table 
 
 You can then use the custom calculation in the grouping in your results table. The grouping in the report then need to be 
 =IF(Compound_Name = "",CCR((Compound_CustomCalculationResults),"RoundedRT"), Compound_Name) 
 The CCR part comes from the Compound fields 
 
 I've done this with all of the files in an example result set. 
 
 Hope that makes sense. 
 /Andy

question about grouping in report template/ intelligent reporting in Open Lab CDS 2.5

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