Using curve resolution techniques for solving highly overlapping LC peaks in MH in python / ironpython and integration into MH

I was trolling the user info forum for information on the python / ironpython algorithms for mulivariate curve resolution to resolve over lapping peaks in a automated way. If possible an integration into Masshunter as a new tool / menu through either python or ironpython / SDK or third option.

You can se a little bit more here:

de Juan, A., & Tauler, R. (2021). Multivariate Curve Resolution: 50 years addressing the mixture analysis problem – A review. Analytica Chimica Acta, 1145, 59–78.

Are there anyone with any kind of information on this, please?

Parents Reply
  • Hello Howard
    Thanks for getting back ot me and I take the comment back as this site is alive even though it probably is difficult to keep of with the answers for all the Q's.

    I know the deconvolution and molecular feature  tools in MH and thanks for the reminder. I will check the webinar as soon as possible. 
    Yes, it was the original plan to include a MCR tool in MH using Ironpython and the SDK kit, but I agree, the most issues for this was concerned with result processing and not directly working on the raw data, which here is 3 traces, MS, DAD, and an old CLND.

    I am also looking into either CDF export or similar to perform the curve resolution in python and exporting traces back to MH or just a compound list.

    Thanks for the input :)

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