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https://github.com/lgatto/2020-msnbase-v2

MSnbase v2 paper
https://github.com/lgatto/2020-msnbase-v2

bioconductor mass-spectrometry massspectrometry metabolomics msnbase proteomics

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MSnbase v2 paper

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# MSnbase, efficient and elegant R-based processing and visualisation of raw mass spectrometry data

We present version 2 of the **MSnbase** R/Bioconductor
package. **MSnbase** provides infrastructure for the manipulation,
processing and visualisation of mass spectrometry data. We focus on
the new *on-disk* infrastructure, that allows the handling of large
raw mass spectrometry experiments on commodity hardware and illustrate
how the package is used for elegant data processing, method
development and visualisation.

- The [manuscript](https://github.com/lgatto/2020-msnbase-v2/raw/master/msnbase2.pdf).
- [Supplementary material](https://github.com/lgatto/2020-msnbase-v2/raw/master/large_experiment_processing.pdf) presenting a large scale analysis with the on-disk backend.
- Presentation of the software at ISMB 2020: [https://youtu.be/lSiVZnrV5Bc](https://youtu.be/lSiVZnrV5Bc).

The code to reproduce the analyses and figures:

- [S01-ondisk.R](https://github.com/lgatto/2020-msnbase-v2/blob/master/S01-ondisk.R)
- [S02-boxcar.R](https://github.com/lgatto/2020-msnbase-v2/blob/master/S02-boxcar.R)
- [S03-vis.R](https://github.com/lgatto/2020-msnbase-v2/blob/master/S03-vis.R)

More information:
- The [MSnbase website](http://lgatto.github.io/MSnbase/)
- MSnbase's [Bioconductor landing page](http://bioconductor.org/packages/release/bioc/html/MSnbase.html)

Citation:

> MSnbase, efficient and elegant R-based processing and visualisation of raw mass spectrometry data. Laurent Gatto, Sebastian Gibb, Johannes Rainer. bioRxiv 2020.04.29.067868; doi: https://doi.org/10.1101/2020.04.29.067868

Now published in Journal of Proteome Research doi: [10.1021/acs.jproteome.0c00313](http://dx.doi.org/10.1021/acs.jproteome.0c00313)