Repository 'prims_metabolomics'
hg clone https://toolshed.g2.bx.psu.edu/repos/pieterlukasse/prims_metabolomics

Changeset 36:9018657a9f73 (2014-09-19)
Previous changeset 35:0ff22eec3e4b (2014-09-18) Next changeset 37:2398cbcac2cb (2014-09-19)
Commit message:
Added "Membership cutoff (0.0 - 1.0)" option
modified:
MsClust.jar
msclust.xml
b
diff -r 0ff22eec3e4b -r 9018657a9f73 MsClust.jar
b
Binary file MsClust.jar has changed
b
diff -r 0ff22eec3e4b -r 9018657a9f73 msclust.xml
--- a/msclust.xml Thu Sep 18 14:29:57 2014 +0200
+++ b/msclust.xml Fri Sep 19 11:25:09 2014 +0200
[
@@ -27,8 +27,10 @@
  -pearsonPDReductionSlope $centerSelectionType.cs_pears_pd_reductionSlope
  -rtDistTolUnit $potDensFuncType.rt_dist_tol_unit.type
  -rtDistTol $potDensFuncType.rt_dist_tol_unit.pdf_rt_toler
- -rtDistanceConfidence $potDensFuncType.pdf_scan_conf  
- -peakWidthMax $potDensFuncType.rt_dist_tol_unit.peak_width_max
+ -rtDistanceConfidence $potDensFuncType.pdf_scan_conf
+ #if $clusteringType.type == "original"
+ -clustMembershipCutoff $clusteringType.clust_membership_cutoff
+ #end if  
  -centrotypesOut $centrotypesOut 
  -simOut $simOut
  -micOut $micOut
@@ -98,13 +100,9 @@
         </param>
         <when value="1">
         <param name="pdf_rt_toler" type="float" size="10" value="10" label="Peak Width, in scans"  />
-        <param name="peak_width_max" type="float" size="10" value="30" label="MAX Peak Width, in scans"  help="This parameter is to avoid calculations of correlation 
-        between peaks that are too far apart anyway" />
         </when>
         <when value="2">
         <param name="pdf_rt_toler" type="float" size="10" value="100000" label="Peak Width, in micro minutes" help="e.g. 100,000=6 seconds" />
-        <param name="peak_width_max" type="float" size="10" value="300000" label="MAX Peak Width, in micro minutes"  help="This parameter is to avoid calculations of correlation 
-        between peaks that are too far apart anyway" />
         </when>
        </conditional>
        <param name="pdf_scan_conf" type="float" size="10" value="80" label="Peak Width confidence (0.0 to 99.99)" help="example: 0[no confidence]...50[good guess]...99.9[quite certain])" />
@@ -128,7 +126,9 @@
        <option value="fuzzyCMeans">(experimental) Fuzzy C-Means - Fuzzy clustering, optimize centers</option>
      </param>
      <when value="original">
-     <!-- nothing -->
+      <param name="clust_membership_cutoff" type="float" size="10" value=""
+             label="Membership cutoff (0.0 - 1.0)"
+             help="Items with membership below this value are NOT added to the cluster"/>
  </when>
      <!-- one idea would be to have clustering specific tolerance values, not reusing the centrotype selection ones
      <when value="originalNewTol">