Importing RI into Library

Hello, 

Is there anyway to import retention index values into a library file? I have separate databases in spreadsheet format where I want to import retention index into library? I can also do this manually I was just curious. MassHunter supplemental files have a database of RI values from the Flavornet database but there doesn't seem to be a way to use these values without manually putting them in. Thanks for any advice. 

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  • Thank you, that discussion answers my question. Although is it still necessary to use the older versions of IronPhyton and Microsoft Visual Studio? I guess I can just follow documentation in 

    Agilent MassHunter Workstation Software Quantitative Analysis
    Scripting Developer’s Guide
    11.0 (11.0.827.0)
    June 28, 2021

    ?

  • Hello  ,

    The most recent version of the manual for Quant 12.1 still lists IronPython 2.7.5 as being the supported version for debugging capabilities.

    The last time I attempted to use a newer version of IronPython 2.7.x I was not successful using the debug capabilities, though that was some time ago and I didn't investigate since the supported version was still available. You will definitely need to stay with the 2.x branch.

    Older Visual Studio versions are getting increasingly difficult to download unless you had purchased the paid version. I was successful in using the 2019 version. I suspect it should be possible to use the latest version, though I have not tried.

  • I tried running the Debugging script with the newest version of Visual Studio (2022) and IronPhython (3.4). It does not work. 

    It doesn't seem like newer versions of Microsoft Visual Studio (2022) work with older versions of IronPython (eg., 2.7.5). 

    If I try to run the ImportRetentionIndices.py script in Library Editor I get this error: 

    Which is probably coming from this command in the code: 

    " with open('C:\Users\cse\Desktop\RIKey2.csv') as csvfile: " 

    If I manually make that folder and put the RIKey2.csv file in it with a library containing the compounds the script does work. 

    I tested everything in Microsoft Visual Studio 2015 and IronPython 2.7.5 and it works. Thanks. 

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