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Added first set of bioconductor-msnbase tools #627

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merged 9 commits into from
Jan 24, 2025
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@hechth hechth commented Jan 23, 2025

This PR adds tools wrapping the following functions from bioconductor-msnbase

  • smooth
  • pickPeaks
  • combineSpectraMovingWindow

Tests are available for all tools and are covered using <assert_contents> statements.

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hechth commented Jan 23, 2025

@jorainer feel free to have a look :)

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Nice! only single comment would be that I would suggest to switch (in the longer run) to MsExperiment and Spectra - MSnbase will not be extended/updated in future.

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Ah - maybe unrelated - but we have now also ways to store data & results in an RData independent manner: MsIO, different possibilities are available, from plain txt to json, hdf5...

@hechth hechth merged commit 8a94b99 into master Jan 24, 2025
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3 participants