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planemo upload for repository https://github.com/workflow4metabolomics/nmr_preprocessing commit 3d328007dd7716848ec2eeb6c2a472f27eeb2995
author workflow4metabolomics
date Fri, 11 Jul 2025 08:33:38 +0000
parents 5b06800f3449
children
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5b06800f3449 planemo upload for repository https://github.com/workflow4metabolomics/nmr_preprocessing commit 46606bb57d9c0dee051a4dcc01e6e2a3bdce435e
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1 <?xml version="1.0"?>
5b06800f3449 planemo upload for repository https://github.com/workflow4metabolomics/nmr_preprocessing commit 46606bb57d9c0dee051a4dcc01e6e2a3bdce435e
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2 <macros>
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3 <token name="@WRAPPER_VERSION@">3.3.0</token>
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5 <xml name="requirements">
5b06800f3449 planemo upload for repository https://github.com/workflow4metabolomics/nmr_preprocessing commit 46606bb57d9c0dee051a4dcc01e6e2a3bdce435e
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6 <requirements>
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7 <requirement type="package" version="3.5.2">r-ggplot2</requirement>
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5b06800f3449 planemo upload for repository https://github.com/workflow4metabolomics/nmr_preprocessing commit 46606bb57d9c0dee051a4dcc01e6e2a3bdce435e
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8 <requirement type="package" version="2.3">r-gridextra</requirement>
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9 <requirement type="package" version="1.3.1">r-tidyr</requirement>
122df1bf0a8c planemo upload for repository https://github.com/workflow4metabolomics/nmr_preprocessing commit 3d328007dd7716848ec2eeb6c2a472f27eeb2995
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10 <requirement type="package" version="1.7.5">r-optparse</requirement>
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11 <requirement type="package" version="1.4.4">r-reshape2</requirement>
122df1bf0a8c planemo upload for repository https://github.com/workflow4metabolomics/nmr_preprocessing commit 3d328007dd7716848ec2eeb6c2a472f27eeb2995
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12 <yield/>
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13 </requirements>
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14 </xml>
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5b06800f3449 planemo upload for repository https://github.com/workflow4metabolomics/nmr_preprocessing commit 46606bb57d9c0dee051a4dcc01e6e2a3bdce435e
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16 <token name="@HELP_AUTHORS@">
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17 .. class:: infomark
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19 **Authors** Manon Martin (manon.martin@uclouvain.be) and Marie Tremblay-Franco (marie.tremblay-franco@inra.fr; Galaxy integration)
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5b06800f3449 planemo upload for repository https://github.com/workflow4metabolomics/nmr_preprocessing commit 46606bb57d9c0dee051a4dcc01e6e2a3bdce435e
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21 .. class:: infomark
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23 | Contact support@workflow4metabolomics.org for any questions or concerns about the Galaxy implementation of this tool.
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25 ---------------------------------------------------
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27 </token>
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29 <token name="@HELP_CHANGELOG@">
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31 ---------------------------------------------------
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33 Changelog/News
5b06800f3449 planemo upload for repository https://github.com/workflow4metabolomics/nmr_preprocessing commit 46606bb57d9c0dee051a4dcc01e6e2a3bdce435e
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34 --------------
5b06800f3449 planemo upload for repository https://github.com/workflow4metabolomics/nmr_preprocessing commit 46606bb57d9c0dee051a4dcc01e6e2a3bdce435e
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35 **Version 3.3.0**
5b06800f3449 planemo upload for repository https://github.com/workflow4metabolomics/nmr_preprocessing commit 46606bb57d9c0dee051a4dcc01e6e2a3bdce435e
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37 * Debugged R scripts for possibly negative baselines
5b06800f3449 planemo upload for repository https://github.com/workflow4metabolomics/nmr_preprocessing commit 46606bb57d9c0dee051a4dcc01e6e2a3bdce435e
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39 **Version 3.2.0**
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5b06800f3449 planemo upload for repository https://github.com/workflow4metabolomics/nmr_preprocessing commit 46606bb57d9c0dee051a4dcc01e6e2a3bdce435e
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41 * Updated R scripts and the help section of NMR_ReadFids and NMR_preprocessing
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42 * Added sections
5b06800f3449 planemo upload for repository https://github.com/workflow4metabolomics/nmr_preprocessing commit 46606bb57d9c0dee051a4dcc01e6e2a3bdce435e
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43 * Created a variableMetadata file in output of the NMR_preprocessing module
5b06800f3449 planemo upload for repository https://github.com/workflow4metabolomics/nmr_preprocessing commit 46606bb57d9c0dee051a4dcc01e6e2a3bdce435e
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44 * Homogenised the input-output file names with the other modules
5b06800f3449 planemo upload for repository https://github.com/workflow4metabolomics/nmr_preprocessing commit 46606bb57d9c0dee051a4dcc01e6e2a3bdce435e
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45 * Suppressed the option ptw for the baseline correction, set to TRUE all the time now
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46 * Shift referencing: other values than 0 are admitted
5b06800f3449 planemo upload for repository https://github.com/workflow4metabolomics/nmr_preprocessing commit 46606bb57d9c0dee051a4dcc01e6e2a3bdce435e
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47 * The log file recovers the input/output parameters
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48 * Added an exclusion zone for the computation of the Baseline Correction criterion
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49 * Switched Internal Referencing (goes second) and Zero Order Phase Correction (goes first)
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51 **Version 3.1.0**
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53 * Implementation of NMR_ReadFids and NMR_preprocessing
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55 </token>
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57 <xml name="citation">
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58 <citations>
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59 <citation type="bibtex">@PhDThesis{Rousseau2011,
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60 title = {Statistical contribution to the analysis of metabonomics data in $^1$H NMR spectroscopy},
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61 author = {Rousseau, R.},
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62 school = {Institut de Statistique, Biostatistique et Sciences Actuarielles, Universit{\'e} catholique de Louvain},
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63 year = {2011}}
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64 </citation>
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65 <citation type="doi">10.1093/bioinformatics/btu813</citation>
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66 </citations>
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67 </xml>
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68
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69 </macros>