@@ -53,8 +53,14 @@ This workflow (and future versions) are deposited at
5353
5454Johannes Rainer and Philippine Louail. xcmsTutorials version 1.1.0: Exploring
5555and analyzing LC-MS data with Spectra and xcms. Zenodo, May
56- 13, 2024. https://doi.org/10.5281/zenodo.11185521 .
56+ 13, 2024. https://doi.org/10.5281/zenodo.11185521 .
5757
58+ Louail P, Brunius C, Garcia-Aloy M, Kumler W, Storz N, Stanstrup J, Treutler H,
59+ Vangeenderhuysen P, Witting M, Neumann S, Rainer J. xcms in Peak Form: Now
60+ Anchoring a Complete Metabolomics Data Preprocessing and Analysis Software
61+ Ecosystem. Anal Chem. 2025 Dec 8. doi:
62+ [ 10.1021/acs.analchem.5c04338] ( https://doi.org/10.1021/acs.analchem.5c04338 ) .
63+ Epub ahead of print. PMID: 41359826.
5864
5965## Installation
6066
@@ -64,22 +70,22 @@ container. After installation, this docker container can be run on the computer
6470and the code and examples from the workshop can be evaluated within this
6571environment (without the need to install any additional packages or files).
6672
67- This version of the workshop uses packages from ** Bioconductor release 3.19 **
68- (May 2024 ) and hence bases on Bioconductor's docker container for that release
69- ( * RELEASE_3_19 * ). The required steps for installation are:
73+ This version of the workshop uses packages from ** Bioconductor release 3.22 **
74+ (October 2025 ) and hence bases on Bioconductor's docker container for that
75+ release ( * RELEASE_3_22 * ). The required steps for installation are:
7076
7177- If you don't already have, install [ docker] ( https://www.docker.com/ ) . Find
7278 installation information [ here] ( https://docs.docker.com/desktop/ ) .
7379- Get the [ docker image] ( https://hub.docker.com/r/jorainer/xcms_tutorials ) of
7480 this tutorial e.g. from the command line with `docker pull
75- jorainer/xcms_tutorials: RELEASE_3_19 `.
81+ jorainer/xcms_tutorials: RELEASE_3_22 `.
7682- Start the docker container, either through the Docker Desktop, or on the
7783 command line with
7884```
7985 docker run \
8086 -e PASSWORD=bioc \
8187 -p 8787:8787 \
82- jorainer/xcms_tutorials:RELEASE_3_19
88+ jorainer/xcms_tutorials:RELEASE_3_22
8389```
8490
8591- Enter ` http://localhost:8787 ` in a web browser and log in with username
@@ -88,7 +94,7 @@ This version of the workshop uses packages from **Bioconductor release 3.19**
8894 the * vignettes* folder and evaluate the R code blocks in that document.
8995
9096
91- For manual installation, an R version >= 4.4 .0 is required as well as recent
97+ For manual installation, an R version >= 4.5 .0 is required as well as recent
9298versions of the packages ` MsExperiment ` , ` Spectra ` and in particular the
9399` xcms ` . These can be installed using the code below:
94100
@@ -128,4 +134,4 @@ Conduct](https://rformassspectrometry.github.io/RforMassSpectrometry/articles/Rf
128134# Acknowledgments
129135
130136Thank you to [ Philippine Louail] ( https://github.com/philouail ) for fixing typos
131- and suggesting improvements.
137+ and suggesting improvements.
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