Mercurial > repos > marie-tremblay-metatoul > nmr_preprocessing

<?xml version="1.0"?>
<macros>
    <token name="@WRAPPER_VERSION@">3.3.0</token>

    <xml name="requirements">
        <requirements>
            <requirement type="package" version="3.5.2">r-ggplot2</requirement>
            <requirement type="package" version="2.3">r-gridextra</requirement>
            <requirement type="package" version="1.3.1">r-tidyr</requirement>
            <requirement type="package" version="1.7.5">r-optparse</requirement>
            <requirement type="package" version="1.4.4">r-reshape2</requirement>
            <yield/>
        </requirements>
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    <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.

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    </token>

    <token name="@HELP_CHANGELOG@">

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Changelog/News
--------------
**Version 3.3.0**

* Debugged R scripts for possibly negative baselines

**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>
author	workflow4metabolomics
date	Fri, 11 Jul 2025 08:33:38 +0000
parents	5b06800f3449
children