Mercurial > repos > eschen42 > multivariate
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planemo upload for repository https://github.com/eschen42/multivariate/tree/dump_rdata forked from https://github.com/workflow4metabolomics/multivariate.git commit 2ace6612c83223925e25d38bce9530f90f20a602-dirty
author | eschen42 |
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date | Mon, 14 Aug 2017 20:57:59 -0400 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/README.md Mon Aug 14 20:57:59 2017 -0400 @@ -0,0 +1,85 @@ +Multivariate analysis by PCA, PLS(-DA), and OPLS(-DA) +===================================================== + +A Galaxy module from the [Workflow4metabolomics](http://workflow4metabolomics.org) infrastructure + +Status: [](https://travis-ci.org/workflow4metabolomics/multivariate). + +### Description + +**Version:** 2.3.8 +**Date:** 2016-10-21 +**Author:** Etienne A. Thevenot (CEA, LIST, MetaboHUB, W4M Core Development Team) +**Email:** [etienne.thevenot(at)cea.fr](mailto:etienne.thevenot@cea.fr) +**Citation:** Thevenot E.A., Roux A., Xu Y., Ezan E. and Junot C. (2015). Analysis of the human adult urinary metabolome variations with age, body mass index and gender by implementing a comprehensive workflow for univariate and OPLS statistical analyses. *Journal of Proteome Research*, **14**:3322-3335. [doi:10.1021/acs.jproteome.5b00354](http://dx.doi.org/10.1021/acs.jproteome.5b00354) +**Licence:** CeCILL +**Reference history:** [W4M00001a_sacurine-subset-statistics](http://galaxy.workflow4metabolomics.org/history/list_published), [W4M00001b_sacurine_complete](http://galaxy.workflow4metabolomics.org/history/list_published) +**Funding:** Agence Nationale de la Recherche ([MetaboHUB](http://www.metabohub.fr/index.php?lang=en&Itemid=473) national infrastructure for metabolomics and fluxomics, ANR-11-INBS-0010 grant) + +### Installation + +* Configuration file: `multivariate_config.xml` +* Image files: + + `static/images/multivariate_workflowPositionImage.png` + + `static/images/multivariate_workingExampleImage.png` +* Wrapper file: `multivariate_wrapper.R` +* R packages + + **batch** from CRAN + + ```r + install.packages("batch", dep=TRUE) + ``` + + + **ropls** from Bioconductor + + ```r + source("http://www.bioconductor.org/biocLite.R") + biocLite("ropls") + ``` + +### Tests + +The code in the wrapper can be tested by running the `runit/multivariate_runtests.R` R file + +You will need to install **RUnit** package in order to make it run: +```r +install.packages('RUnit', dependencies = TRUE) +``` + +### Working example + +See the **W4M00001a_sacurine-subset-statistics**, **W4M00001b_sacurine-subset-complete**, **W4M00002_mtbls2**, **W4M00003_diaplasma** shared histories in the **Shared Data/Published Histories** menu (https://galaxy.workflow4metabolomics.org/history/list_published) + +### News + +###### CHANGES IN VERSION 2.3.8 + +MINOR MODIFICATION + + * (O)PLS(-DA) coefficients display in case of multiple quantitative (or multiclass) response: now the column names of the coefficients for each response are correctly labelled in the variableMetadata file + +###### CHANGES IN VERSION 2.3.6 + +INTERNAL MODIFICATION + + * minor internal modifications + +###### CHANGES IN VERSION 2.3.4 + +INTERNAL MODIFICATION + + * minor update of .shed.yml + +###### CHANGES IN VERSION 2.3.2 + +INTERNAL MODIFICATION + + * Modification of the `multivariate_wrapper.R` file to handle **ropls** package versions of 1.3.15 and above (i.e. after switching to S4 classes) + +###### CHANGES IN VERSION 2.3.0 + +NEW FEATURES + + * **Predictions** now available (see the 'Samples to be tested' argument) + * OPLS(-DA): **Predictive and Orthogonal VIP** are now computed (see the 'comments' section) + * **Multiclass PLS-DA** implemented (see the 'comments' section)