File structure for importing Calibration Levels

Hi,
my question refers to the software MassHunter Workstation Quantitative Analysis Version 10.1 (Build 10.1.733.0), operating system Windows 10,

There is the possibility to import calibration levels through a CSV file. How should such a CSV file look like, can someone show an example? Is it also possible to export the quantitation methods to such files?

With kind regards

Top Replies

  • Hi ,

    For further reference, here are a few more details about how this feature works and how to use it.

    1. Setup up the Batch Table with the standards as usual. It is not possible to specify a name for…

  • Hi ,

    For further reference, here are a few more details about how this feature works and how to use it.

    1. Setup up the Batch Table with the standards as usual. It is not possible to specify a name for the levels in the import file, so make sure to label the Level for the calibrators sequentially as numbered levels, 1,2,3, etc.

     

    2. Create a CSV file in Excel or in Notepad. The columns or values must be in the order indicated below. The Compound Name must exactly match the name as specified in the quantitation method. The CAS# is optional. The Purity column is optional and not used even if it is entered, but it is expressed 1 for 100% pure and as a fraction of 1 for other purity values (0 .95 means 95% pure compound). The remaining columns represent the varying concentrations of the analyte.

    Compound Name CAS# Purity Level 1 Conc. Level 2 Conc. Level...

    Note the following regarding the entries

    • Only compounds listed in the file will have their concentrations updated. Any compounds not listed will retain their previously entered concentrations and level names.
    • Some versions of the Help mention that if ISTDs are used they must be listed in the file. In limited testing this does not appear to be the case. ISTD compounds can be included if desired and the concentrations will be updated. 
    • If a value is given in the CAS# column and a compound does not have an entry for the CAS# in the method then the entry will be updated with the CAS# from the file. If there is already a CAS# entered for a compound it will not be changed or updated with the value from the csv file. The CAS# does not have to match the existing CAS# entry for the concentrations to be updated as long as the compound name is correct.
    • If a compound name does not exactly match a compound name in the method then the results of importing the CSV file may not be predictable. After importing it is recommended to verify all entries and if there are any issues recheck the import file for errors. 

    Excel CSV example

    Notepad CSV example

    3. After creating and saving the CSV file, in Quant edit the method and import the file into the quantitation database using the Method > Import Calibration Levels from File menu item in Classic view. In QMW view go to the Method ribbon tab and under Calibration Curve select Import Calibration Levels from File.

    Classic QMW

    4. The new concentration values are immediately entered into the Quant method.

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