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In the following issue #671 we discussed the major changes for SDRF specification during the next release 1.1. One of them, is the extension of SDRF for metabolomics.
> **GOAL**: The aim of adapti…
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DIMet is a bioinformatics pipeline for differential analysis of targeted isotope-labelled data.
DIMet supports the analysis of full metabolite abundances and isotopologue contributions, and allows …
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Hello,
I have followed you impressive pipeline (which I understood is within QC) successfully, but I wanted to move further into the multivariate side of metabolomics for actual interpretation.
Cou…
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### Algorithm
OPLS(-DA)
### Package
ropls
### Supported types
* [ X ] classif
* [ ] #289
* [ ] dens
* [ X ] regr
* [ ] surv
### I have checked that this is not already implemente…
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## The R for Mass Spectrometry Initiative
Authors/developers: @lgatto @sgibb @jorainer
The objectives of the *R for Mass Spectrometry* initiative (https://www.rformassspectrometry.org/) are…
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This group will focus on mass-spectrometry assays, and more specifically proteomics and metabolomics. Given that there will be presentations and posters focusing on infrastructure for raw data manipul…
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In this session, we would like to identify and discuss challenges and opportunities in mass spectrometry (MS)-based omics (proteomics and metabolomics) within the Bioconductor project. These topics co…
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We support a Contribution Annotation Framework that allows us to indicate roles of conributors. However, many tutorials still use the "old" style contribution metadata (without roles)
Updating this…
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# MS2 spectra matching for metabolite identification
# Abstract
One major open topic in untargeted metabolomics is identifying unknown compounds from mass spectra. As MS1 comparisons can be ambi…
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Dear @lgatto, @sgibb and @jorainer,
First thanks for creating and maintaining the rformassspectrometry project. I would like to ask how I can submit a new package to the project, is there a guide…