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ENH: Add function for peak picking #6

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VinzentRisch opened this issue Jan 8, 2025 · 0 comments
Open

ENH: Add function for peak picking #6

VinzentRisch opened this issue Jan 8, 2025 · 0 comments

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@VinzentRisch
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Chromatographic peak detection for high resolution LC/MS data in centroid mode.

Uses the readMSData() function to import data into an XCMSExperiment object and the findChromPeaks() function (centWave algorithm) for peak picking. Both functions are from the R package XCMS.

Outputs a XCMSExperiment artifact that can be exported and imported into R with the package MsIO.

Metadata can be used to label samples (blanks, QC samples …).

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