Report builder/custom calculations

Hello, I am  GC/MS MH Quant. 10.1 software I need some assistance modifying a report so I can print out the results of my analysis.  We use the result in ug/mL and multiply it by initial sample volume of either 0.500mL or 1mL depending on type of sample.  We then multiply that by dilution factor and that varies as well and then divide the aforementioned by the sample weight.  I am relatively new to this software and not sure how to add this calculation in or where as a custom calculation and then have the software print out a report.  Thank you for your help and input.  I am uncertain where to go in the software to add these unknowns so to speak.  I see dil. ,  amt., and vol.  which I could use.

  • Hi I moved your question to Mass Spectrometry Software for better visibility.  Thanks!

  • Hello ,

    Here is an explanation for Quant's Multiplier, Total Sample Amount, Sample Amount, and Dilution fields. I would try to see if these will meet your needs for adjusting the Final Concentration before going into further custom calculations or reporting. 

    Quant has three different fields that can be used in creating a multiplier. The multiplier is used to convert the calculated concentration (column Calc. Calc.), which is the amount calculated from the calibration curve, to the final concentration (column Final Conc.). 



    This column can be added in the Compound Method section of the batch table. It cannot be directly edited but displays the multiplier that has been calculated using Dilution, Sample Amount, and Total Sample Amount. 


    Multiplier = (Total Sample Amount / Sample Amount) *Dilution


    Final Concentration = Calculated Concentration * Multiplier


    By default, Dilution (Dil.) has a value of 1. Sample Amount (Amt.) and Total Sample Amount (Tot. Amt.) do not have values and are not used in the calculation unless both have a value entered.


    Dilution (Dil.)

    The simplest case is to use only Dilution. The column is labeled Dil. and can be added in the Sample section of the batch table. If there is no Sample Amount or Total Sample Amount entered, then the multiplier is simply the Dilution


    Multiplier = Dilution


       If the sample is diluted by a factor of 2, the Dilution Factor is 2. Hence, the Calculated Concentration is multiplied by 2 to adjust the Final Concentration.


    Sample Amount (Amt.) and Total Sample Amount (Tot. Amt.)

    The columns are labeled Amt. and Tot. Amt. and can be added in the Sample section of the batch table. For these to be used in the calculation of the multiplier, both must have a value entered. If Dilution is 1 (default), then the multiplier is simply


    Multiplier = Total Sample Amount / Sample Amount



    If a lab needs to report the total amount of a target compound present in a 100 g sample but only 20 g of the sample needs to be processed for analysis, they could enter 100 for Tot. Amt. and 20 for Amt. so that the Calculated Concentration is multiplied by 5 to adjust the Final Concentration. 

  • So as it turns out we have the results reported differently than is explained here above.  

    We weigh out about 0.1g of sample into a vial and use 1mL or 500uL TMB for volume preparation.  We then use a final volume in the vial for  injection whether diluted or not diluted sample of 500uL or 0.5mL.  If the sample is diluted say 1:10 or dilution factor of 10 it would be 50uL of that final sample prep and 450uL of TMB for final working volume of 500uL.   This doesn't work in the calculations mentioned above as the result is reported in ug/g.  Any easy way to do this?  Thanks for your time.

  • ,

    If the multiplier won't work for your method then you can try doing calculations in Report Builder templates. In this post there is a simple example of using the User Defined column to perform calculations on the concentration. 

    The only other option would be using the tools in the SDK to make a custom calculation in Quant, but this would require a fair amount of programing.

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