Amount calculation of unknown compounds with calibration curve factor. Reporting the results of multiple injections with intellegent reporting template. OpenLab version C.01.06

Question

Dear all

we are working with OpenLab ChemStation, Version C.01.06. We are trying to present the results of unknown compounds using intelligent report template. Statistical calculations (average, (rel) standard deviation etc.) should be done from multiple sample injections / preparations.

The compound amount should be calculated using calibration curve factor(s) of reference compound(s) which is determined by multi level calibration.

Questions:

Should the unknown compound be added into the calibration table for the correct peak identification ?
How can we link the unknown peak to the response factor of ref- compound for calculating the amount ?

As more than one reference compound are available in the calibration table, the response factor is to be correctly linked to the individual peaks.

Any support and ideas for other approaches to solve the problem are appreciated.

Thank you and best regards

Mr.hbar

martin.adams · Accepted Answer

Hello, I have done something like this before. I used the compound name to group the reference peaks with the unknowns that used their curves. I did this by naming the peaks as peakname_# and the unknowns unknownname_# where the number links the unknown to the reference peaks. The in the report you will need to filter a table for an injection after the calibration curve is built. I did this using a sample label of FS. You also need to place a filter to remove the unknown peaks. In this table you will need to have columns for the curve coefficients. Once you have the table setup you will need to store the 2 coefficients as variables. As you need to store them for each reference peak you will need an index. The index we will use is the number after the _ so it will be entered as =Choose(2,Split(Compound_Name,"_")). This will take the text after the _ as the index. Once the table is full configured you can turn off the visibility as you do not need to display those values. Now you can use those stored variables with the peak area of the unknowns to calculate the amount. You can see in the example I have repeated that table by the injection pairs and compounds. The first amount is from the normal calc table the second is the custom calculation from the stored values.