Mercurial > repos > recetox > mfassignr_isofiltr

diff mfassignr_isofiltr.xml @ 5:f7a738bf392f draft

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/mfassignr commit 4bd188e61f09431c0b7e73b35fb8ccf5ee7af6ac
author recetox
date Mon, 21 Oct 2024 09:06:53 +0000
parents e7ef7718505d
children
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--- a/mfassignr_isofiltr.xml	Mon Sep 16 09:06:41 2024 +0000
+++ b/mfassignr_isofiltr.xml	Mon Oct 21 09:06:53 2024 +0000
@@ -1,4 +1,4 @@
-<tool id="mfassignr_isofiltr" name="MFAssignR IsoFiltR" version="@TOOL_VERSION@+galaxy0" profile="23.0">
+<tool id="mfassignr_isofiltr" name="MFAssignR IsoFiltR" version="@TOOL_VERSION@+galaxy1" profile="23.0">
     <description>Separates likely isotopic masses from monoisotopic masses in a mass list</description>
     <macros>
         <import>macros.xml</import>
@@ -21,9 +21,11 @@
     <configfiles>
         <configfile name="mfassignr_isofiltr"><![CDATA[
             peaks <- read.table("$peaks", header=TRUE, sep="\t")
+            SN = $sn_ratio * $kmdn
+
             result <- MFAssignR::IsoFiltR(
                 peaks = peaks,
-                SN = $SN,
+                SN = SN,
                 Carbrat = $Carbrat,
                 Sulfrat = $Sulfrat,
                 Sulferr = $Sulferr,