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Merge pull request #7 from jorainer/jomain
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Finalize the additional visualization paragraph
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jorainer committed Sep 29, 2023
2 parents dd62661 + 0643cd7 commit 54f7373
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2 changes: 1 addition & 1 deletion DESCRIPTION
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Package: xcmsTutorials
Title: Exploring and Analyzing LC-MS data with Spectra and xcms
Version: 0.99.2
Version: 0.99.3
Authors@R: c(
person(given = "Johannes", family = "Rainer",
email = "[email protected]",
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4 changes: 4 additions & 0 deletions NEWS.md
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# xcmsTutorials 0.99

## Changes in xcmsTutorials 0.99.3

- Finalize the additional visualization paragraph.

## Changes in xcmsTutorials 0.99.2

- Add additional visualization options. Require `xcms` version >= 3.99.4.
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13 changes: 6 additions & 7 deletions README.md
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Expand Up @@ -14,9 +14,7 @@ work with mass spectrometry
[Spectra](https://github.com/RforMassSpectrometry/Spectra)) and specifically
LC-MS data ([xcms](https://github.com/sneumann/xcms)) and walks through the
preprocessing of a small data set emphasizing on selection of data-dependent
settings for the individual pre-processing steps. The present workshop
represents an updated version of the workshop given at the Metabolomics Society
conference 2018 in Seattle (http://metabolomics2018.org).
settings for the individual pre-processing steps.

Covered topics are:
- Data import and representation.
Expand All @@ -29,10 +27,11 @@ Covered topics are:
- Correspondence (grouping of chromatographic peaks across samples).

The full R code of all examples along with comprehensive descriptions is
provided in the [xcms-preprocessing.Rmd](./xcms-preprocessing.Rmd) file. This
file can be opened with e.g. RStudio which allows execution of the individual R
commands (see section below for additionally required R packages). The R command
`rmarkdown::render("xcms-preprocessing.Rmd")` would generate the html file
provided in the [xcms-preprocessing.Rmd](./vignettes/xcms-preprocessing.Rmd)
file. This file can be opened with e.g. RStudio which allows execution of the
individual R commands (see section below for additionally required R
packages). The R command `rmarkdown::render("xcms-preprocessing.Rmd")` would
generate the html file
[xcms-preprocessing.html](https://jorainer.github.io/xcmsTutorials/xcms-preprocessing.html).


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