Mercurial > repos > tomnl > mspurity_puritya

diff purityA.xml @ 12:a6f519dff5a8 draft

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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit bbbcc75d51c020446fd00d76f908a6250266cfea
author tomnl
date Fri, 13 Sep 2019 11:56:18 -0400
parents 1ca9cf3699c5
children 8398f2a364ee
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--- a/purityA.xml	Thu Jun 27 12:38:08 2019 -0400
+++ b/purityA.xml	Fri Sep 13 11:56:18 2019 -0400
@@ -51,6 +51,8 @@
                 --isotope_matrix=$isotopes.im
             #end if
 
+            --ppmInterp "$ppmInterp"
+
     ]]></command>
     <inputs>
 
@@ -84,6 +86,11 @@
                help="If TRUE, this will use the neareset full scan to the fragmentation scan to determine what the m/z value
                      is of the precursor"/>
 
+        <param name="ppmInterp" type="float" label="Interpolation PPM" value="7" argument='--ppmInterp'
+               help="Set the ppm tolerance for the precursor ion purity interpolation.
+               i.e. the ppm tolerence between the precursor ion found in the neighbouring scans. The closest match
+               within the window will be used for the interpolation"/>
+
 
         <conditional name="offsets">
             <param name="offsets" type="select" label="offsets" >