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NEWS.md

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xcmsTutorials 1.1

Changes in 1.1.2

  • Add citation information to the README and the package.

Changes in 1.1.1

  • Use spectraSampleIndex() instead of the old fromFile() function to get sample assignments of individual spectra.
  • Add () to all functions in the descriptive text to discriminate functions from classes or parameter names.

Changes in 1.1.0

  • Release the tutorial to Zenodo: https://doi.org/10.5281/zenodo.11185521
  • Use Bioconductor 3.19 release docker image and packages.
  • Add examples for simple quality assessment of BPC or BPS data.
  • Introduce parameter ppm for PeakDensityParam correspondence analysis method.
  • Add an additional section for extraction of chromatographic or spectra data for identified chromatographic peaks and perform isotopologue search in these.

xcmsTutorials 1.0

Changes in 1.0.4

  • Use the Bioconductor 3.18 release docker image.

Changes in 1.0.3

  • Add reference to the MsQuality paper.

Changes in 1.0.2

  • Add the msdata to depends to ensure it's going to be installed.

Changes in 1.0.1

  • Small fixes with bullet points in the README and corrections/reformulations in the workshop Rmd.

Changes in 1.0.0

  • Restructure and clarify basic data access section.

xcmsTutorials 0.99

Changes in xcmsTutorials 0.99.3

  • Finalize the additional visualization paragraph.

Changes in xcmsTutorials 0.99.2

  • Add additional visualization options. Require xcms version >= 3.99.4.

Changes in xcmsTutorials 0.99.1

  • Add requirements for xcms and Spectra packages as well as R version.

xcmsTutorials 0.2

Changes in xcmsTutorials 0.2.0

  • Rewrite parts of the tutorial based on feedback and corrections provided from Philippine Louail.

xcmsTutorials 0.1