Mercurial > repos > lecorguille > msnbase_readmsdata
comparison msnbase_readmsdata.xml @ 6:32c20be7002f draft
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit d481a27556155e3587901d702d364b71f28e30b9
author | lecorguille |
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date | Thu, 07 Mar 2019 07:35:39 -0500 |
parents | c0a66f15261b |
children | b6ef94529e50 |
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5:2a69f9923a70 | 6:32c20be7002f |
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59 <has_text text="fvarLabels: fileIdx spIdx ... spectrum (27 total)" /> | 59 <has_text text="fvarLabels: fileIdx spIdx ... spectrum (27 total)" /> |
60 <has_text text="./ko15.CDF ko15 ." /> | 60 <has_text text="./ko15.CDF ko15 ." /> |
61 </assert_stdout> | 61 </assert_stdout> |
62 </test> | 62 </test> |
63 <!-- DISABLE FOR TRAVIS | 63 <!-- DISABLE FOR TRAVIS |
64 Useful to generate test-data for the further steps--> | 64 Useful to generate test-data for the further steps |
65 <test> | 65 <test> |
66 <param name="input" value="ko16.CDF" ftype="netcdf" /> | 66 <param name="input" value="ko16.CDF" ftype="netcdf" /> |
67 <assert_stdout> | 67 <assert_stdout> |
68 <has_text text="rowNames: ./ko16.CDF" /> | 68 <has_text text="rowNames: ./ko16.CDF" /> |
69 <has_text text="ko16.CDF" /> | 69 <has_text text="ko16.CDF" /> |
84 <has_text text="rowNames: ./wt16.CDF" /> | 84 <has_text text="rowNames: ./wt16.CDF" /> |
85 <has_text text="wt16.CDF" /> | 85 <has_text text="wt16.CDF" /> |
86 <has_text text="./wt16.CDF wt16 ." /> | 86 <has_text text="./wt16.CDF wt16 ." /> |
87 </assert_stdout> | 87 </assert_stdout> |
88 </test> | 88 </test> |
89 <!-- --> | 89 --> |
90 </tests> | 90 </tests> |
91 | 91 |
92 <help><![CDATA[ | 92 <help><![CDATA[ |
93 | 93 |
94 @HELP_AUTHORS@ | 94 @HELP_AUTHORS@ |
130 Name Output file Format | 130 Name Output file Format |
131 =========================== ==================== ==================== | 131 =========================== ==================== ==================== |
132 xcms.findChromPeaks ``*``.raw.RData rdata.msnbase.raw | 132 xcms.findChromPeaks ``*``.raw.RData rdata.msnbase.raw |
133 =========================== ==================== ==================== | 133 =========================== ==================== ==================== |
134 | 134 |
135 | 135 |
136 | 136 |
137 **Example of a metabolomic workflow** | 137 **Example of a metabolomic workflow** |
138 | 138 |
139 .. image:: msnbase_readmsdata_workflow.png | 139 .. image:: msnbase_readmsdata_workflow.png |
140 | 140 |
156 | 156 |
157 **Choose your inputs** | 157 **Choose your inputs** |
158 | 158 |
159 You have two methods for your inputs: | 159 You have two methods for your inputs: |
160 | 160 |
161 | Single file (recommended): You can put a single file as input. That way, you will be able to launch several readMSData and findChromPeaks in parallel and use "findChromPeaks Merger" before groupChromPeaks. | 161 | Single file (recommended): You can put a single file as input. That way, you will be able to launch several readMSData and findChromPeaks in parallel and use "findChromPeaks Merger" before groupChromPeaks. |
162 | Zip file: You can put a zip file containing your inputs: myinputs.zip (containing all your conditions as sub-directories). | 162 | Zip file: You can put a zip file containing your inputs: myinputs.zip (containing all your conditions as sub-directories). |
163 | 163 |
164 Zip file: Steps for creating the zip file | 164 Zip file: Steps for creating the zip file |
165 ----------------------------------------- | 165 ----------------------------------------- |
166 | 166 |
221 | 221 |
222 sampleMetadata.tsv (only when a zip is used) | 222 sampleMetadata.tsv (only when a zip is used) |
223 | 223 |
224 | Tabular file that contains for each sample its associated class and polarity (positive,negative and mixed). | 224 | Tabular file that contains for each sample its associated class and polarity (positive,negative and mixed). |
225 | This file is necessary in further steps of the workflow, as the Anova and PCA steps for example. | 225 | This file is necessary in further steps of the workflow, as the Anova and PCA steps for example. |
226 | You get a sampleMetadata.tsv only if you use a zip. Otherwise, you have to provide one for the findChromPeaks Merger step. | 226 | You get a sampleMetadata.tsv only if you use a zip. Otherwise, you have to provide one for the findChromPeaks Merger step. |
227 | 227 |
228 --------------------------------------------------- | 228 --------------------------------------------------- |
229 | 229 |
230 Changelog/News | 230 Changelog/News |
231 -------------- | 231 -------------- |