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bio.tools EDAM #169

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3 changes: 3 additions & 0 deletions tools/camera_annotate/abims_CAMERA_annotateDiffreport.xml
Original file line number Diff line number Diff line change
Expand Up @@ -514,5 +514,8 @@ Changelog/News

<expand macro="citation" />

<expand macro="edam_topics"/>
<expand macro="edam_operations"/>
<expand macro="xrefs"/>

</tool>
4 changes: 4 additions & 0 deletions tools/camera_combinexsannos/abims_CAMERA_combinexsAnnos.xml
Original file line number Diff line number Diff line change
Expand Up @@ -263,5 +263,9 @@ Changelog/News

<expand macro="citation" />

<expand macro="edam_topics"/>
<expand macro="edam_operations"/>
<expand macro="xrefs"/>


</tool>
19 changes: 19 additions & 0 deletions tools/camera_macro/macros.xml
Original file line number Diff line number Diff line change
Expand Up @@ -165,4 +165,23 @@
<citation type="doi">10.1093/bioinformatics/btu813</citation>
</citations>
</xml>
<xml name="edam_topics">
<edam_topics>
<edam_topic>topic_2259</edam_topic> <!-- Systems biology -->
<edam_topic>topic_3172</edam_topic> <!-- Metabolomics -->
<edam_topic>topic_3307</edam_topic> <!-- Computational biology -->

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I wouldn't include Computational Biology because it is the most generic term. Regarding EDAM annotation, the general rule is that you pick the most specific terms you can, but not their parents

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Any of the other term are children of Computational Biology !?
But I don't know if I can pick a more precise term in Computational Biology ?
If not, I can understand that it should be remove because not enough specific

</edam_topics>
</xml>
<xml name="edam_operations">
<edam_operations>
<edam_operation>operation_0226</edam_operation> <!-- Annotation -->

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Same here, leave Enrichment Analysis but remove annotation

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Enrichment Analysis
Categories from a relevant ontology can be used. The input is typically a set of genes or other biological objects, possibly represented by their identifiers, and the output of the analysis is typically a ranked list of categories, each associated with a statistical metric of over-/under-representation within the studied data.

Annotation
This is a broad concept and is used a placeholder for other, more specific concepts.

Indeed Annotation isn't really specific but so far I don't have anything relevant for metabolomics in this branch. But for me, it's different than discover up or over-/under-metabolomics across samples. Or I misunderstood the "Enrichment Analysis" term :/

<edam_operation>operation_3501</edam_operation> <!-- Enrichment analysis -->
</edam_operations>
</xml>
<xml name="xrefs">
<xrefs>
<xref type="bio.tools">camera</xref>
<xref type="bio.tools">workflow4metabolomics</xref>
</xrefs>
</xml>
</macros>
4 changes: 4 additions & 0 deletions tools/ipo/ipo4retgroup.xml
Original file line number Diff line number Diff line change
Expand Up @@ -229,4 +229,8 @@ Changelog/News
]]></help>

<expand macro="citation" />

<expand macro="edam_topics"/>
<expand macro="edam_operations"/>
<expand macro="xrefs"/>
</tool>
4 changes: 4 additions & 0 deletions tools/ipo/ipo4xcmsSet.xml
Original file line number Diff line number Diff line change
Expand Up @@ -252,4 +252,8 @@ Changelog/News
]]></help>

<expand macro="citation" />

<expand macro="edam_topics"/>
<expand macro="edam_operations"/>
<expand macro="xrefs"/>
</tool>
20 changes: 20 additions & 0 deletions tools/ipo/macros.xml
Original file line number Diff line number Diff line change
Expand Up @@ -89,4 +89,24 @@
<citation type="doi">10.1093/bioinformatics/btu813</citation>
</citations>
</xml>
<xml name="edam_topics">
<edam_topics>
<edam_topic>topic_2259</edam_topic> <!-- Systems biology -->
<edam_topic>topic_3172</edam_topic> <!-- Metabolomics -->
<edam_topic>topic_3307</edam_topic> <!-- Computational biology -->

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remove (see other comments)

</edam_topics>
</xml>
<xml name="edam_operations">
<edam_operations>
<edam_operation>operation_3627</edam_operation> <!-- Mass spectra calibration -->
<edam_operation>operation_3215</edam_operation> <!-- Peak detection -->
<edam_operation>operation_2425</edam_operation> <!-- Optimisation and refinement -->
</edam_operations>
</xml>
<xml name="xrefs">
<xrefs>
<xref type="bio.tools">ipo</xref>
<xref type="bio.tools">workflow4metabolomics</xref>
</xrefs>
</xml>
</macros>
4 changes: 4 additions & 0 deletions tools/msnbase_readmsdata/msnbase_readmsdata.xml
Original file line number Diff line number Diff line change
Expand Up @@ -251,4 +251,8 @@ Changelog/News
]]></help>

<expand macro="citation" />

<expand macro="edam_topics"/>
<expand macro="edam_operations"/>
<expand macro="xrefs"/>
</tool>
12 changes: 12 additions & 0 deletions tools/nmr_annotation/asics_xml.xml
Original file line number Diff line number Diff line change
Expand Up @@ -222,5 +222,17 @@ Example
<citation type="doi">10.1007/s11306-017-1244-5</citation>
<citation type="doi">10.1093/bioinformatics/btu813</citation>
</citations>
<edam_topics>
<edam_topic>topic_2259</edam_topic> <!-- Systems biology -->
<edam_topic>topic_3172</edam_topic> <!-- Metabolomics -->
<edam_topic>topic_3307</edam_topic> <!-- Computational biology -->
</edam_topics>
<edam_operations>
<edam_operation>operation_0226</edam_operation> <!-- Annotation -->

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Would replace with http://edamontology.org/operation_3214 (Spectral analysis) and http://edamontology.org/operation_3799 (Quantification)

</edam_operations>
<xrefs>
<xref type="bio.tools">asics</xref>
<xref type="bio.tools">workflow4metabolomics</xref>
</xrefs>

</tool>
Original file line number Diff line number Diff line change
Expand Up @@ -128,4 +128,10 @@ Changelog/News
]]></help>

<expand macro="citation" />

<expand macro="edam_topics"/>
<edam_operations>
<edam_operation>operation_2409</edam_operation> <!-- Data handling -->
</edam_operations>
<expand macro="xrefs"/>
</tool>
6 changes: 6 additions & 0 deletions tools/xcms_fillpeaks/abims_xcms_fillPeaks.xml
Original file line number Diff line number Diff line change
Expand Up @@ -305,5 +305,11 @@ Changelog/News

<expand macro="citation" />

<expand macro="edam_topics"/>
<edam_operations>
<edam_operation>operation_3557</edam_operation> <!-- Imputation -->
</edam_operations>
<expand macro="xrefs"/>


</tool>
8 changes: 8 additions & 0 deletions tools/xcms_group/abims_xcms_group.xml
Original file line number Diff line number Diff line change
Expand Up @@ -425,5 +425,13 @@ Changelog/News

<expand macro="citation" />

<expand macro="edam_topics"/>
<edam_operations>
<edam_operation>operation_3628</edam_operation> <!-- Chromatographic alignment -->
<edam_operation>operation_3633</edam_operation> <!-- Retention time prediction -->
<edam_operation>operation_3694</edam_operation> <!-- Mass spectrum visualisation -->
</edam_operations>
<expand macro="xrefs"/>


</tool>
20 changes: 20 additions & 0 deletions tools/xcms_macro/macros_msnbase.xml
Original file line number Diff line number Diff line change
Expand Up @@ -28,4 +28,24 @@
<expand macro="citation_w4m"/>
</citations>
</xml>

<xml name="edam_topics">
<edam_topics>
<edam_topic>topic_2259</edam_topic> <!-- Systems biology -->
<edam_topic>topic_3172</edam_topic> <!-- Metabolomics -->
<edam_topic>topic_0121</edam_topic> <!-- Proteomics -->
<edam_topic>topic_3307</edam_topic> <!-- Computational biology -->

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remove

</edam_topics>
</xml>
<xml name="edam_operations">
<edam_operations>
<edam_operation>operation_2409</edam_operation> <!-- Data handling -->
</edam_operations>
</xml>
<xml name="xrefs">
<xrefs>
<xref type="bio.tools">msnbase</xref>
<xref type="bio.tools">workflow4metabolomics</xref>
</xrefs>
</xml>
</macros>
13 changes: 13 additions & 0 deletions tools/xcms_macro/macros_xcms.xml
Original file line number Diff line number Diff line change
Expand Up @@ -252,4 +252,17 @@ For details and explanations concerning all the parameters and workflow of xcms_
<expand macro="citation_w4m"/>
</citations>
</xml>
<xml name="edam_topics">
<edam_topics>
<edam_topic>topic_2259</edam_topic> <!-- Systems biology -->
<edam_topic>topic_3172</edam_topic> <!-- Metabolomics -->

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remove

<edam_topic>topic_3307</edam_topic> <!-- Computational biology -->
</edam_topics>
</xml>
<xml name="xrefs">
<xrefs>
<xref type="bio.tools">camera</xref>
<xref type="bio.tools">workflow4metabolomics</xref>
</xrefs>
</xml>
</macros>
6 changes: 6 additions & 0 deletions tools/xcms_merge/xcms_merge.xml
Original file line number Diff line number Diff line change
Expand Up @@ -198,4 +198,10 @@ Changelog/News
]]></help>

<expand macro="citation" />

<expand macro="edam_topics"/>
<edam_operations>
<edam_operation>operation_3436</edam_operation> <!-- Aggregation -->
</edam_operations>
<expand macro="xrefs"/>
</tool>
6 changes: 6 additions & 0 deletions tools/xcms_plot_chromatogram/xcms_plot_chromatogram.xml
Original file line number Diff line number Diff line change
Expand Up @@ -116,4 +116,10 @@ Changelog/News
]]></help>

<expand macro="citation" />

<expand macro="edam_topics"/>
<edam_operations>
<edam_operation>operation_3203</edam_operation> <!-- Chromatogram visualisation -->
</edam_operations>
<expand macro="xrefs"/>
</tool>
7 changes: 7 additions & 0 deletions tools/xcms_retcor/abims_xcms_retcor.xml
Original file line number Diff line number Diff line change
Expand Up @@ -375,4 +375,11 @@ Changelog/News

<expand macro="citation" />

<expand macro="edam_topics"/>
<edam_operations>
<edam_operation>operation_3628</edam_operation> <!-- Chromatographic alignment -->
<edam_operation>operation_3633</edam_operation> <!-- Retention time prediction -->
</edam_operations>
<expand macro="xrefs"/>

</tool>
5 changes: 5 additions & 0 deletions tools/xcms_summary/abims_xcms_summary.xml
Original file line number Diff line number Diff line change
Expand Up @@ -128,5 +128,10 @@ Changelog/News


<expand macro="citation" />
<edam_operations>
<edam_operation>operation_0337</edam_operation> <!-- Visualisation -->
</edam_operations>
<expand macro="edam_topics"/>
<expand macro="xrefs"/>

</tool>
7 changes: 7 additions & 0 deletions tools/xcms_xcmsset/abims_xcms_xcmsSet.xml
Original file line number Diff line number Diff line change
Expand Up @@ -581,4 +581,11 @@ Changelog/News
]]></help>

<expand macro="citation" />

<expand macro="edam_topics"/>
<edam_operations>
<edam_operation>operation_3215</edam_operation> <!-- Peak detection -->
<edam_operation>operation_3860</edam_operation> <!-- Spectrum calculation -->
</edam_operations>
<expand macro="xrefs"/>
</tool>