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Topic: Merging pos and neg feature lists (Read 88 times) previous topic - next topic

Merging pos and neg feature lists

Hello,

In MS-Dial it should be possible to merge aligned LC-MS feature lists from pos and neg data recorded for the same samples and I have tried using the amalgamation function but I cannot get it to work - either nothing happens or MS-Dial crashes. Can anyone perhaps give me an example on what the .txt feature list that should be created for one polarity should look like? Or perhaps let me know how to do this :)

Thanks!
Anna

Re: Merging pos and neg feature lists

Reply #1
Hi Anna,
I would like to suggest you trying MSCleanR (A shiny R package).

Best,
Sukis

Re: Merging pos and neg feature lists

Reply #2
Dear Anna,

I was recently asked for the same question by a user. But I cannot reproduce the crash issue.
First, the attached file extracted from negative ion mode data is the list to be used in positive ion mode.
Then, if it works, you can see the result e.g. in MS-DIAL GUI by changing "Label" of top-left panel (peak spot navigator) to "Adduct" as attached. And the result is also described in the exported data matrix.
Please let me know your update.

And yes, MS-CleanR should be one option to clean-up your data.
Thanks,

Hiroshi