Mercurial > repos > marie-tremblay-metatoul > nmr_annotation
diff nmr_preprocessing/macros.xml @ 2:7304ec2c9ab7 draft
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author | marie-tremblay-metatoul |
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date | Mon, 30 Jul 2018 10:33:03 -0400 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/nmr_preprocessing/macros.xml Mon Jul 30 10:33:03 2018 -0400 @@ -0,0 +1,71 @@ +<?xml version="1.0"?> +<macros> + <token name="@WRAPPER_VERSION@">3.2.0</token> + + <xml name="requirements"> + <requirements> + <requirement type="package" version="1.1_4">r-batch</requirement> + <requirement type="package" version="2.2.1">r-ggplot2</requirement> + <requirement type="package" version="2.3">r-gridextra</requirement> + <requirement type="package" version="1.4.3">r-reshape2</requirement> + <yield /> + </requirements> + </xml> + + <xml name="stdio"> + <stdio> + <exit_code range="1" level="fatal" /> + </stdio> + </xml> + + + <token name="@HELP_AUTHORS@"> +.. class:: infomark + +**Authors** Manon Martin (manon.martin@uclouvain.be) and Marie Tremblay-Franco (marie.tremblay-franco@inra.fr; Galaxy integration) + +.. class:: infomark + +| Contact support@workflow4metabolomics.org for any questions or concerns about the Galaxy implementation of this tool. + +--------------------------------------------------- + + </token> + + <token name="@HELP_CHANGELOG@"> + +--------------------------------------------------- + +Changelog/News +-------------- +**Version 3.2.0** + +* Updated R scripts and the help section of NMR_ReadFids and NMR_preprocessing +* Added sections +* Created a variableMetadata file in output of the NMR_preprocessing module +* Homogenised the input-output file names with the other modules +* Suppressed the option ptw for the baseline correction, set to TRUE all the time now +* Shift referencing: other values than 0 are admitted +* The log file recovers the input/output parameters +* Added an exclusion zone for the computation of the Baseline Correction criterion +* Switched Internal Referencing (goes second) and Zero Order Phase Correction (goes first) + +**Version 3.1.0** + +* Implementation of NMR_ReadFids and NMR_preprocessing + + </token> + + <xml name="citation"> + <citations> + <citation type="bibtex">@PhDThesis{Rousseau2011, + title = {Statistical contribution to the analysis of metabonomics data in $^1$H NMR spectroscopy}, + author = {Rousseau, R.}, + school = {Institut de Statistique, Biostatistique et Sciences Actuarielles, Universit{\'e} catholique de Louvain}, + year = {2011}} + </citation> + <citation type="doi">10.1093/bioinformatics/btu813</citation> + </citations> + </xml> + +</macros>