comparison mfassignr_isofiltr.xml @ 5:f7a738bf392f draft

planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/mfassignr commit 4bd188e61f09431c0b7e73b35fb8ccf5ee7af6ac

4:ef0388b42f7a

<tool id="mfassignr_isofiltr" name="MFAssignR IsoFiltR" version="@TOOL_VERSION@+galaxy0" profile="23.0">
    <description>Separates likely isotopic masses from monoisotopic masses in a mass list</description>
    <macros>
        <import>macros.xml</import>
        <import>help.xml</import>
    </macros>

    ]]>
    </command>
    <configfiles>
        <configfile name="mfassignr_isofiltr"><![CDATA[
            peaks <- read.table("$peaks", header=TRUE, sep="\t")
            result <- MFAssignR::IsoFiltR(
                peaks = peaks,
                SN = $SN,
                Carbrat = $Carbrat,
                Sulfrat = $Sulfrat,
                Sulferr = $Sulferr,
                Carberr = $Carberr
            )

5:f7a738bf392f

<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>
        <import>help.xml</import>
    </macros>

    ]]>
    </command>
    <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,
                Carbrat = $Carbrat,
                Sulfrat = $Sulfrat,
                Sulferr = $Sulferr,
                Carberr = $Carberr
            )