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docker: install xcms from the jomain branch
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jorainer committed Sep 27, 2023
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2 changes: 1 addition & 1 deletion Dockerfile
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Expand Up @@ -11,6 +11,6 @@ WORKDIR /home/rstudio
COPY --chown=rstudio:rstudio . /home/rstudio/

## Install the xcmsTutorials package and additional required packages
RUN Rscript -e "options(repos = c(CRAN = 'https://cran.r-project.org')); BiocManager::install(ask = FALSE); BiocManager::install('sneumann/xcms')"
RUN Rscript -e "options(repos = c(CRAN = 'https://cran.r-project.org')); BiocManager::install(ask = FALSE); BiocManager::install('sneumann/xcms', ref = 'jomain')"

RUN Rscript -e "options(repos = c(CRAN = 'https://cran.r-project.org')); devtools::install('.', dependencies = TRUE, build_vignettes = TRUE, repos = BiocManager::repositories())"
3 changes: 2 additions & 1 deletion vignettes/xcms-preprocessing.Rmd
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Expand Up @@ -46,7 +46,8 @@ which is followed by the description of a simple data centroiding approach and
finally we present an *xcms*-based LC-MS data preprocessing that comprises
chromatographic peak detection, alignment and correspondence. Data normalization
procedures, compound identification and differential abundance analysis are not
covered here. Particular emphasis is given on deriving and defining data set-dependent values for the most critical *xcms* preprocessing parameters.
covered here. Particular emphasis is given on deriving and defining data
set-dependent values for the most critical *xcms* preprocessing parameters.


# Introduction
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