Mercurial > repos > computational-metabolomics > mspurity_purityx
diff purityX.xml @ 8:b16952cc06d2 draft
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 7e1748612a9f9dce11a9e54ff36752b600e7aea3
| author | computational-metabolomics |
|---|---|
| date | Wed, 12 Jun 2024 16:02:20 +0000 |
| parents | a141be614e76 |
| children | 13034c3886f2 |
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--- a/purityX.xml Tue Feb 08 13:57:32 2022 +0000 +++ b/purityX.xml Wed Jun 12 16:02:20 2024 +0000 @@ -131,9 +131,9 @@ </inputs> <outputs> <data name="purityX_tsv" format="tsv" label="${tool.name} on ${on_string}: tsv" - from_work_dir="purityX.tsv" /> + from_work_dir="purityX_output.tsv" /> <data name="purityX_rdata" format="rdata" label="${tool.name} on ${on_string}: RData" - from_work_dir="purityX.rdata" /> + from_work_dir="purityX_output.RData" /> </outputs> <tests> <test> @@ -155,7 +155,7 @@ <param name="iw_norm" value="QE5" /> <param name="xset" value="xset_group_LCMS_1_LCMS_2_LCMSMS_1_LCMSMS_2.RData"/> <output name="purityX_tsv" value="purityX_output.tsv" /> - <output name="purityX_rdata" value="purityX_output.Rdata" ftype="rdata" compare="sim_size"/> + <output name="purityX_rdata" value="purityX_output.RData" ftype="rdata" compare="sim_size"/> </test> </tests> <help><![CDATA[ @@ -177,18 +177,20 @@ metrics regarding the anticipated precursor ion purity. ============= ============= ============= ================ ================ ================ ================ ================ ================ -grpid mean median sd stde RSD pknm i mz +grpid meanPurity medianPurity sdPurity stdePurity cvPurity pknmPurity i mz ============= ============= ============= ================ ================ ================ ================ ================ ================ -1 1.00 1.00 0.0000 0.0000 0.0000 1 5404920 100.0758 +1 1.00 1.00 0.0000 0.0000 0.0000 1 5404920 100.0758 ------------- ------------- ------------- ---------------- ---------------- ---------------- ---------------- ---------------- ---------------- -2 0.59 0.57 0.3016 0.1508 50.570 3 8793845 101.0084 +2 0.59 0.57 0.3016 0.1508 50.570 3 8793845 101.0084 ------------- ------------- ------------- ---------------- ---------------- ---------------- ---------------- ---------------- ---------------- -3 0.08 0.07 0.0784 0.0164 29.643 4 1526502 100.9781 +3 0.08 0.07 0.0784 0.0164 29.643 4 1526502 100.9781 ------------- ------------- ------------- ---------------- ---------------- ---------------- ---------------- ---------------- ---------------- -4 1.00 1.00 0.0000 0.0000 0.0000 1 42513139 102.0914 +4 1.00 1.00 0.0000 0.0000 0.0000 1 42513139 102.0914 ============= ============= ============= ================ ================ ================ ================ ================ ================ +(Note - the additional peakID column is the same as grpid. Included for compatibility with other Galaxy tools) + ]]></help> <expand macro="citations" />