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Report to calculate RRT and rank

t0by

Hi all,

Just quickly I'm using OpenLAB CDS Acquisition version 2.3 and running SEC on a predefined method.

I was hoping to be able to add ranks to the report. We assign samples that we run a grade (A / B / C / D...) based off pre-defined constant values. This is based off of RT and % peak. As well as the ranks, I'd also like to have a column in the report that gives RRT relative to a sample that is also run within the same experiment.

Could someone point me in the right direction, I'm fairly familiar with coding so once I know where I'm looking I might be alright.

Thanks,

Toby

  • 0

    Andy,

    Find below details of the equations that we use, it's not so much identifying compounds so much as it is peaks either side of the compound. This is because you might have different multimer peaks but it doesn't matter so much as the overall value.

     

    Retention Time (min) = Peak_RetentionTime

    Main Peak = Peak_AreaPercent

    PeakSumAfterMain / BeforeMain are functions that find peaks before or after MainPeak_RT

    Hope this helps - cheers.

    Toby

  • 0 in reply to t0by

    Toby

    Ok, that makes sense.

    For the sequence (or injection list in Data Analysis, I would set the Sample type for the first injection of the reference standard to be System Suitability.  All of the remaining injections would be set to Sample type Sample except the repeated injections of the reference material, which I would identify as QC Check Sample type.

    I would create a Single Sequence Summary report and add a Compound Summary table so that we can filter on Sample_Type to pull out just the data from the first injection.  In this case a filter for Sample_Type 7 is used, to identify the System Suitability injection.  That should give you a table with one sample in at the top of the report.

    I would then use the value from the RT column, and save that as a variable

    That should give you a table with one sample in at the top of the report.

    You can always hide this table in the Advanced properties of the table.

    At this point, you can add another table with a filter that shows only the main peak for each injection.  I assume that your processing method identifies the main peak as a compound in each sample.

     

    In that table, you can add the columns for your calculated % values and an additional Custom column that adds the calculated RRT

     

    That would be a good starting point for the report.

     

    Without access to the data and the processing method, I'm going to struggle to give the perfect answer.

     

    The key thing is to have a table that reports only one line per injection, so that you can add the calculated results as columns.

     

    Does that help at all?

     

    /Andy

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