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Intrinsic Peak Analysis (IPA) pipeline for peak-picking in large-scale untargeted small molecule analysis including metabolomics, lipidomics, exposomics, and environmental studies.

R 100.00%
metabolomics lipidomics exposome mass-spectrometry feature-detection peak-detection small-molecule cran r untargeted-metabolomics

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idsl.ipa's Issues

IDSL.IPA computations successful but workflow stopped due to an error

Hello,

I was able to successfully run IDSL.IPA (I believe so anyhow) on my 12 mzML files, however the command ended due to an error. Here's the end of the log

Completed gap-filling!
---------------------------------------------------------------------------------------------------
---------------------------------------------------------------------------------------------------
The required processing time was `1.21609768807888 hours`
2023-03-23 22:33:11 Etc/UTC


Completed IDSL.IPA computations successfully!
===================================================================================================
Error in base::try(ms1, silent = TRUE) : object 'ms1' not found

Stopped IDSL.IPA workflow!

Should the error be disregarded?

Also, which output in the peak_alignment folder should be used as the peak table? peak_R13C_gapfilled.csv?

Thank you!

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