diff README.md @ 0:b2b02fb81a0a draft default tip

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
date Mon, 14 Aug 2017 20:57:59 -0400
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+Multivariate analysis by PCA, PLS(-DA), and OPLS(-DA)
+=====================================================
+
+A Galaxy module from the [Workflow4metabolomics](http://workflow4metabolomics.org) infrastructure  
+
+Status: [![Build Status](https://travis-ci.org/workflow4metabolomics/multivariate.svg?branch=master)](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)