5 Replies Latest reply on Oct 30, 2018 2:14 PM by ryoboyle

    Quantify more than one compound

    fprosje

      Hi,

      I am trying to get intelligent reporting to replace our excel sheet for quantification (openlabs 2.2 and up). I know how to everything for just one compound, but i am struggling with adding more. The problem that i have is the sample amount. There is just one box i can fill in, but i need more because i want to quantify more than one compound and i need the sample amount to calculate the bias and recovery of samples/calibration.

      Is there another way to make this possible? The amount of compounds i need to quantify varies a lot, sometimes 7, sometimes only 2.

       

      Note: i cannot use CC because i need to use a cross sequence summary report in order to group and filter it like i need it to.

        • Re: Quantify more than one compound
          ryoboyle

          Hello,

           

          I added some tags to this post to increase visibility.

           

          You can add Sample or Compound custom parameters by editing your Project settings in the OpenLab Control Panel. Below is an example of adding a couple sample custom parameters:

           

           

          Once this change is made to the project, in an instrument acquisition session launched using that project you can then input values for these custom parameters in the sequence table:

           

           

          You can also set these values post-acquisition in the Data Analysis Injection List.

           

          To call these sample custom parameters on a report, you would select the Sample Custom Fields field and then specify which Sample level custom parameter you wish to select:

           

           

          Please let us know if you have any questions.

            • Re: Quantify more than one compound
              fprosje

              Hi Ryoboyle,

               

              Thank you, that is helpful. But how can i get the IR to pick the right amount automatically? This should be possible right? Something with Iif amount1 then ... ? Sorry i do not know enough (yet) about VBA to make this work. This is a part of the report i have now for quantifying multiple compounds, it filters on compound name and i need the concentration calc., Bias and recovery to have the right sample amounts, depending on which compound is quantified it will be 'amount1', 'amount2' etc.

              quant table.PNG

              Getting the IR to filter the right amount automatically would be perfect. The only other thing i can think of is making more reports with different settings, but that is really not ideal.

                • Re: Quantify more than one compound
                  ryoboyle

                  Hi fprosje,

                   

                  Sorry for the delay. For your purposes it sounds like you would want to set up a Compound Custom Parameter (like below) as opposed to Sample Custom Parameters on the project:

                  This then allows you to save a unique value for each compound on each injection you make. These custom parameter values can be assigned at the time of acquisition or in the injection list in Data Analysis:

                  Once these custom parameter values have been saved to the data, they can then be called on a report (ideally in a compound results table). To illustrate how to call Compound Custom Parameters, I took the below screenshots while setting up a column in a compound results table to display my Compound Custom Parameters values:

                  The expression in the above screenshot outputs the outlined column below:

                  Hopefully that helps. Let us know if you have any questions.

                  1 person found this helpful
                    • Re: Quantify more than one compound
                      fprosje

                      Tried it, works fine, but is quite some work to keep having to enter the values manually for each and every injection AND compound.

                      Right now, in excel, we fill in the amount of standard we weighed just one time and excel calculates every concentration automatically with the dilution factors. This is something i would like to have in the IR too. Is that possible?