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Posts by Phili

let's get the community rolling 💪! Thanks to Vilhelm Suksi from @antagomir.bsky.social 's group for the contribution of the notame vignette 🙌

3 months ago 3 2 0 0
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Exploring and Analyzing LC-MS Data This resource hosts tutorials and end-to-end workflows describing how to analyze LC-MS/MS data, from raw files to annotation, using Bioconductor packages.

🚀 New release: Metabonaut v1.4.0 is here!

1️⃣ New integration with the notame package for robust feature selection. 2️⃣ Added GNPS2 FBMN export for molecular networking.

Explore the updates: rformassspectrometry.github.io/Metabonaut/

#Metabolomics #RStats #OpenScience #MassSpec #Bioconductor

3 months ago 10 4 0 1
xcms-based data preprocessing for FBMN with GNPS2 xcms *for* GNPS2 provides an example workflow for preprocessing and preparation of an LC-MS/MS data set for feature-based molecular networking (FBMN) with GNPS2 on the example of a publicly available ...

my workshop is available here: jorainer.github.io/xcms4gnps2/ - with contribution from @philouail.bsky.social

4 months ago 4 3 1 0

Great work from @philouail.bsky.social 🙌

#xcms now fully integrated into @bioconductor.bsky.social 💪

👉 #metabolomics #MassSpectrometry #rstats

4 months ago 13 6 2 0
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@philouail.bsky.social presenting the #Metabonaut tutorials for #metabolomics data analysis at #EuroBioC2025 @bioconductor.bsky.social conference.

@human-dn.bsky.social #MassSpectrometry #ProudPI

7 months ago 6 2 0 0
xcms at 20 and still in Peak form: Now anchoring a complete ecosystem for metabolomics data preprocessing and analysis. High-quality data preprocessing is essential for untargeted metabolomics experiments, where increasing dataset scale and complexity demands adaptable, robust, and reproducible software solutions. Mode...

here it is: doi.org/10.5281/zeno...

9 months ago 1 1 0 0

Will do too !

9 months ago 1 0 0 0
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Philippine @philouail.bsky.social presenting #xcms , summary of 20 years development and recent extensions at the #MetSoc2025 conference!

#ProudPI 😎 #rstats @bioconductor.bsky.social #metabolomics #MassSpectrometry

9 months ago 18 6 2 0

Thank you so much 🥰

9 months ago 2 0 0 0
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@jorainer.bsky.social and @philouail.bsky.social gave a great overview of the ecosystem around #RforMassSpectrometry and #XCMS!

#MetSoc25
I am super glad they now also provide options to combine with #Python and #matchms (thanks🙏)

9 months ago 11 6 1 0
Large Scale Data Preprocessing with xcms

🚀 New in Metabonaut: tested xcms on a 4,000+ sample LC-MS dataset — all on a laptop! 💻
Fully reproducible + now possible thanks to dev improvements in xcms.
Vignette: rformassspectrometry.github.io/Metabonaut/a...

Big thanks to @jorainer.bsky.social

#RStats #MassSpec #OpenScience #Metabonaut

10 months ago 6 2 0 0

Work from @philouail.bsky.social with contributions from William Kumler, Pablo Vangeenderhuysen and Carl Brunius! Thanks! 🥳

1 year ago 2 1 0 0

And big thanks also to the @eubic-ms.org hackathon team contributing to our #SpectriPy package github.com/RforMassSpec... !

Next on the list submission of the package to 👉 @bioconductor.bsky.social

1 year ago 14 5 0 0

One thing maybe not discussed enough is the long term opportunity cost of not investing and supporting open source software. Imagine the more and better Blenders, GIMPs, Firefoxs, InkScapes, QGISs etc we would of had (+ could have) if open source was taken more seriously by government and businesses

1 year ago 27 8 1 0

Je ne ferai pas de starter pack.

Ni de dessins copiant Ghibli sans l'autorisation de Miyazaki.

Ces images générées par IA sont irrespectueuses pour des artistes déjà précaires.

Et c'est un gouffre énergétique insensé.

Je préfère qu'il reste de l'eau et de l'art à nos enfants.

1 year ago 2687 404 89 31
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LC-MS/MS Data Annotation using R and Python

Combine R + Python seamlessly for LC-MS/MS annotation using #SpectriPy 🧬
Fully reproducible with public #MetaboLights data
🔗 rformassspectrometry.github.io/Metabonaut/a...
#RStats #MassSpec

1 year ago 3 0 0 1
Exploring and Analyzing LC-MS Data This resource hosts tutorials and end-to-end workflows describing how to analyze LC-MS/MS data, from raw files to annotation, using Bioconductor packages.

🚀 Starting the week by sharing Metabonaut:

rformassspectrometry.github.io/Metabonaut/

A collection of comprehensive tutorials for LC-MS/MS data analysis in R! Learn raw data processing, annotation & stats with xcms, RforMassSpectrometry & Bioconductor—all reproducible & community-driven! #rstats

1 year ago 5 1 0 1