# HG changeset patch
# User galaxyp
# Date 1550920871 18000
# Node ID edb33e8224c65ac4bb97262f4fcd3976cc2e3993
# Parent  9e6e840d6b52963c59e41a0ecb8dccaf3a092ccf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msconvert commit d595e3cfe190a61d81005f9be7c2652aa5f91292

diff -r 9e6e840d6b52 -r edb33e8224c6 idconvert.xml
--- a/idconvert.xml	Mon Aug 08 10:43:52 2016 -0400
+++ b/idconvert.xml	Sat Feb 23 06:21:11 2019 -0500
@@ -1,9 +1,8 @@
 <tool id="idconvert" name="idconvert" version="@VERSION@.0">
     <description>Convert mass spectrometry identification files</description>
-    <macros>
-        <import>msconvert_macros.xml</import>
-    </macros>
-    <expand macro="generic_requirements" />
+    <requirements>
+      <requirement type="package" version="3.0.9992">proteowizard</requirement>
+    </requirements>
     <stdio>
         <exit_code range="1:" />
         <regex match="Error"
@@ -15,15 +14,15 @@
 <![CDATA[
 #import os.path
 #set $input_name = '.'.join([$os.path.basename(str($from.input)),str($from.input.extension).replace('xml','.xml')])
-ln -s "$from.input" "$input_name" &&
-idconvert $input_name 
+ln -s '$from.input' '$input_name' &&
+idconvert '$input_name'
 #if str($to_format) == 'pep.xml':
 --pepXML
 #elif str($to_format) == 'text':
 --text
 #end if
---outdir outdir 
-&& cp outdir/* $output
+--outdir 'outdir'
+&& cp outdir/* '$output'
 ]]>
     </command>
     <inputs> 
@@ -49,40 +48,40 @@
             <option value="pep.xml">pepXML (pepxml)</option>
             <option value="text">text</option>
         </param>
-  </inputs>
-  <outputs>
-      <data format="mzid" name="output" label="${from.input.name.rsplit('.',1)[0]}.${to_format}">
-        <change_format>
-          <when input="to_format" value="pep.xml" format="pepxml" />
-          <when input="to_format" value="text" format="txt" />
-        </change_format>
-      </data>
-  </outputs>
-  <tests>
-      <test>
-          <param name="input" value="Rpal_01.pepXML" />
-          <param name="from_format" value="pepxml" />
-          <param name="to_format" value="mzid" />
-          <output name="output_psms">
-              <assert_contents>
-                  <has_text text="MzIdentML" />
-                  <has_text text="VIKKSTTGRVLSDDILVIRKGEIAARNASHKMR" />
-              </assert_contents>
-          </output>
-      </test>
-      <test>
-          <param name="input" value="Rpal_01.mzid" />
-          <param name="from_format" value="mzid" />
-          <param name="to_format" value="pep.xml" />
-          <output name="output_psms">
-              <assert_contents>
-                  <has_text text="msms_pipeline_analysis" />
-                  <has_text text="VIKKSTTGRVLSDDILVIRKGEIAARNASHKMR" />
-              </assert_contents>
-          </output>
-      </test>
-  </tests>
-  <help>
+    </inputs>
+    <outputs>
+        <data format="mzid" name="output" label="${from.input.name.rsplit('.',1)[0]}.${to_format}">
+            <change_format>
+                <when input="to_format" value="pep.xml" format="pepxml" />
+                <when input="to_format" value="text" format="txt" />
+            </change_format>
+        </data>
+    </outputs>
+    <tests>
+        <test>
+            <param name="input" value="Rpal_01.pepXML" />
+            <param name="from_format" value="pepxml" />
+            <param name="to_format" value="mzid" />
+            <output name="output">
+                <assert_contents>
+                    <has_text text="MzIdentML" />
+                    <has_text text="VIKKSTTGRVLSDDILVIRKGEIAARNASHKMR" />
+                </assert_contents>
+            </output>
+        </test>
+        <test>
+            <param name="input" value="Rpal_01.mzid" />
+            <param name="from_format" value="mzid" />
+            <param name="to_format" value="pep.xml" />
+            <output name="output">
+                <assert_contents>
+                    <has_text text="msms_pipeline_analysis" />
+                    <has_text text="VIKKSTTGRVLSDDILVIRKGEIAARNASHKMR" />
+                </assert_contents>
+            </output>
+        </test>
+    </tests>
+    <help>
 <![CDATA[
 idconvert [options] [filemasks]
 Convert mass spec identification file formats.
@@ -118,6 +117,8 @@
 idconvert mascot.mzid --pepXML
 
 ]]>
-  </help>
-  <expand macro="citations" />
+    </help>
+    <citations>
+        <citation type="doi">10.1093/bioinformatics/btn323</citation>
+    </citations>
 </tool>
diff -r 9e6e840d6b52 -r edb33e8224c6 msconvert_macros.xml
--- a/msconvert_macros.xml	Mon Aug 08 10:43:52 2016 -0400
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,675 +0,0 @@
-<macros>
-  <xml name="generic_requirements">
-    <requirements>
-      <requirement type="package" version="3.0.9016">proteowizard</requirement>
-    </requirements>
-  </xml>
-  <token name="@VERSION@">3.0</token>
-  
-  <xml name="msconvertCommand">
-    <command interpreter="python">
-<![CDATA[
-    #import re
-    #set $ext = $input.ext
-    msconvert_wrapper.py
-    #if $ext == 'wiff':
-      #set basename = 'absciex'
-      #if hasattr($input, 'display_name')
-        #set basename = $re.sub('\W','_',$input.display_name)
-      #end if
-      --input=${input.extra_files_path}/wiff
-      --input_name='${basename}.wiff
-      --implicit=${input.extra_files_path}/wiff_scan
-      --input=${input.extra_files_path}/wiff_scan
-      --input_name='${basename}.wiff.scan
-    #else
-      --input=${input}
-      #if hasattr($input, 'display_name')
-      --input_name='${input.display_name}'
-      #end if
-    #end if
-    --output=${output}
-    ## BEGIN_VERSION_DEFAULT
-    --fromextension=$ext
-    ## END_VERSION_DEFAULT
-    --toextension=${output_type}
-
-    ## DATA PROCESSING FILTERS (NOTE: FOR VENDOR METHOD TO WORK, PEAK PICKING MUST BE THE FIRST FILTER!)
-      #if $data_processing.precursor_refinement.use_mzrefinement
-        #set $input_ident_name = $re.sub('\W','_',$data_processing.precursor_refinement.input_ident.display_name)
-        #if $data_processing.precursor_refinement.input_ident.ext == 'mzid':
-          #set $input_ident_name = $re.sub('(?i)([.]?mzid)*$','.mzid',$input_ident_name)
-        #elif $data_processing.precursor_refinement.input_ident.ext == 'pepxml':
-          #set $input_ident_name = $re.sub('(?i)([.]?pep[.]?xml)*$','.pep.xml',$input_ident_name)
-        #end if
-      --ident=$data_processing.precursor_refinement.input_ident
-      --ident_name=$input_ident_name
-      --refinement=$output_refinement
-      --filter "mzRefiner $input_ident_name
-        msLevels=$data_processing.precursor_refinement.precursor_refinement_ms_levels
-        thresholdScore=$data_processing.precursor_refinement.thresholdScore
-        thresholdValue=$data_processing.precursor_refinement.thresholdValue
-        thresholdStep=$data_processing.precursor_refinement.thresholdStep
-        maxSteps=$data_processing.precursor_refinement.thresholdMaxSteps"
-      #end if
-
-      #if $data_processing.peak_picking.pick_peaks
-      --filter "peakPicking $data_processing.peak_picking.pick_peaks_algorithm msLevel=$data_processing.peak_picking.pick_peaks_ms_levels"
-      #end if
-
-      #if str($data_processing.charge_state_calculation.charge_state_calculation_method) == "predictor"
-      --filter "chargeStatePredictor
-        overrideExistingCharge=$data_processing.charge_state_calculation.predictor_overrideExistingCharge
-        minMultipleCharge=$data_processing.charge_state_calculation.minMultipleCharge
-        maxMultipleCharge=$data_processing.charge_state_calculation.maxMultipleCharge
-        singleChargeFractionTIC=$data_processing.charge_state_calculation.singleChargeFractionTIC
-        maxKnownCharge=$data_processing.charge_state_calculation.maxKnownCharge"
-      #else if str($data_processing.charge_state_calculation.charge_state_calculation_method) == "turbocharger"
-      --filter "turbocharger
-        minCharge=$data_processing.charge_state_calculation.minCharge
-        maxCharge=$data_processing.charge_state_calculation.maxCharge
-        precursorsBefore=$data_processing.charge_state_calculation.precursorsBefore
-        precursorsAfter=$data_processing.charge_state_calculation.precursorsAfter
-        halfIsoWidth=$data_processing.charge_state_calculation.halfIsoWidth
-        defaultMinCharge=$data_processing.charge_state_calculation.defaultMinCharge
-        defaultMaxCharge=$data_processing.charge_state_calculation.defaultMaxCharge"
-      #end if
-
-      #for threshold_entry in $data_processing.thresholds
-      --filter "threshold $threshold_entry.threshold_type $threshold_entry.value $threshold_entry.orientation"
-      #end for
-
-      #if $data_processing.filter_mz_windows.do_mzwindow_filter
-      --filter "mzWindow [$data_processing.filter_mz_windows.mz_window_from,$data_processing.filter_mz_windows.mz_window_to]"
-      #end if
-
-      #if $data_processing.etd_filtering.do_etd_filtering
-      --filter "ETDFilter $data_processing.etd_filtering.remove_precursor
-        $data_processing.etd_filtering.remove_charge_reduced
-        $data_processing.etd_filtering.remove_neutral_loss
-        $data_processing.etd_filtering.blanket_removal
-        $data_processing.etd_filtering.matching_tolerance $data_processing.etd_filtering.matching_tolerance_units"
-      #end if
-
-      #if $data_processing.ms2denoise.denoise
-      --filter "MS2Denoise $data_processing.ms2denoise.num_peaks $data_processing.ms2denoise.window_width $data_processing.ms2denoise.relax"
-      #end if
-
-      #if str($data_processing.ms2deisotope) == "true"
-      --filter "MS2Deisotope"
-      #end if
-
-
-    ## SCAN INCLUSION/EXCLUSION FILTERS
-      #if str($filtering.activation) != "false"
-      --filter "activation $filtering.activation"
-      #end if
-
-      #if len($filtering.indices) > 0
-      --filter "index
-      #for $index in $filtering.indices
-      [${index.from},${index.to}]
-      #end for
-      "
-      #end if
-
-      #if len($filtering.scan_numbers) > 0
-      --filter "scanNumber
-      #for $scan_number in $filtering.scan_numbers
-      [${scan_number.from},${scan_number.to}]
-      #end for
-      "
-      #end if
-
-      #if $filtering.strip_it.value
-      --filter "stripIT"
-      #end if
-
-      #if $filtering.filter_ms_levels.do_ms_level_filter
-      --filter "msLevel [$filtering.filter_ms_levels.ms_level_from, $filtering.filter_ms_levels.ms_level_to]"
-      #end if
-
-      #if str($filtering.polarity) != "false"
-      --filter "polarity $filtering.polarity"
-      #end if
-
-      #if str($filtering.analyzer) != "false"
-      --filter "analyzer $filtering.analyzer"
-      #end if
-      
-    ## OUTPUT ENCODING
-      -- 
-      #set $mz_encoding = str($settings.mz_encoding)
-      #set $intensity_encoding = str($settings.intensity_encoding)
-      #if $mz_encoding == $intensity_encoding
-        #if $mz_encoding == "64"
-          --64
-        #else
-          --32
-        #end if
-      #else
-        --mz${mz_encoding}
-        --inten${intensity_encoding}
-      #end if
-
-      #set binary_compression = str($settings.binary_compression)
-      #if $binary_compression == "zlib"
-      --zlib
-      #else if $binary_compression == "numpressLinearPic"
-      --numpressLinear --numpressPic
-      #else if $binary_compression == "numpressLinearSlof"
-      --numpressLinear --numpressSlof
-      #else if $binary_compression == "numpressLinear"
-      --numpressLinear
-      #else if $binary_compression == "numpressPic"
-      --numpressPic
-      #else if $binary_compression == "numpressSlof"
-      --numpressSlof
-      #end if
-
-      #if $settings.gzip_compression
-      --gzip
-      #end if
-
-]]>
-    </command>
-  </xml>
-
-  <xml name="msconvertInputParameters">
-    <param name="output_type" type="select" label="Output Type">
-      <option value="mz5" selected="true">mz5</option>
-      <option value="mzML">mzML</option>
-      <option value="mzXML">mzXML</option>
-      <option value="mgf">mgf</option>
-      <option value="ms2">ms2</option>
-    </param>
-
-    <section name="data_processing" title="Data Processing Filters">
-      
-      <conditional name="peak_picking">
-        <param type="boolean" name="pick_peaks" label="Apply peak picking?" truevalue="true" falsevalue="false" />
-        <when value="false" />
-        <when value="true">
-          <param name="pick_peaks_ms_levels" type="select" label="Peak Peaking - Apply to MS Levels">
-            <option value="1">MS1 Only (1)</option>
-            <option value="2">MS2 Only (2)</option>
-            <option value="2-">MS2 and on (2-)</option>
-            <option value="1-" selected="true">All Levels (1-)</option>
-          </param>
-          <param type="select" name="pick_peaks_algorithm" label="Peak Picking - Algorithm" help="The vendor method only works on Agilent, Bruker, Sciex, Thermo data, and only on Windows (although some vendors work on Wine)">
-            <option value="vendor" selected="true">Prefer vendor algorithm, fallback to local-maximum</option>
-            <option value="cwt">CantWaiT - continuous wavelet transform</option>
-          </param>
-        </when>
-      </conditional>
-
-      <conditional name="precursor_refinement" title="MZRefinery Precursor Refinement" expanded="true">
-        <param type="boolean" name="use_mzrefinement" label="Apply m/z refinement with identification data?" truevalue="true" falsevalue="false" checked="False" />
-        <when value="false"></when>
-        <when value="true">
-          <param name="input_ident" type="data" format="pepxml,mzid" label="MZRefinery - Input identification data" />
-          <param name="thresholdScore" type="text" value="mvh" label="MZRefinery - Threshold Score Name" help="E.g. 'mvh' for MyriMatch, 'xcorr' for Sequest, 'specevalue' for MS-GF+" />
-          <param name="thresholdValue" type="text" value="50-" label="MZRefinery - Threshold Score Value" help="MZRefinery uses peptide-spectrum-matches with scores from this range to build its model. '100-' means score equal to or greater than 100. '-1e-10' means less than or equal to 1e-10." />
-          <param name="thresholdStep" type="float" value="0" label="MZRefinery - Threshold Score Step" help="If there are not enough quality hits at the given score threshold value, the threshold can be increased by this step (until maxSteps is reached)." />
-          <param name="thresholdMaxSteps" type="integer" value="0" label="MZRefinery - At most, how many steps to widen the threshold?" />
-          <param name="precursor_refinement_ms_levels" type="select" label="MZRefinery - Apply to MS Levels">
-            <option value="1">MS1 Only (1)</option>
-            <option value="2">MS2 Only (2)</option>
-            <option value="2-">MS2 and on (2-)</option>
-            <option value="1-" selected="true">All Levels (1-)</option>
-          </param>
-        </when>
-      </conditional>
-
-      <conditional name="charge_state_calculation">
-        <param name="charge_state_calculation_method" type="select" label="(Re-)calculate charge states?">
-          <option value="false">no</option>
-          <option value="predictor">Based on how much intensity is above vs. below the precursor m/z in the MS/MS scan</option>
-          <option value="turbocharger">Based on isotopic distribution of the precursor in nearby survey scans</option>
-        </param>
-        <when value="false" />
-        <when value="predictor">
-          <param name="predictor_overrideExistingCharge" type="boolean" label="Always override existing charge?" value="false" />
-          <param name="minMultipleCharge" type="integer" label="Minimum multiple charge state" value="2" />
-          <param name="maxMultipleCharge" type="integer" label="Maximum multiple charge state" value="3" />
-          <param name="singleChargeFractionTIC" type="float" label="Fraction of intensity below the precursor to be considered singly charged" max="1" min="0" value="0.9" />
-          <param name="maxKnownCharge" type="integer" label="Maximum charge allowed for &quot;known&quot; charges" help="This is applied even when not overriding existing charges (i.e. it overrides only obviously bogus charge states)" value="0" />
-        </when>
-        <when value="turbocharger">
-          <param name="minCharge" type="integer" label="Minimum possible charge state" value="1" min="1" help="Charge states lower than this will not be considered." />
-          <param name="maxCharge" type="integer" label="Maximum possible charge state" value="8" min="2" help="Charge states greater than this will not be considered." />
-          <param name="precursorsBefore" type="integer" label="Number of preceding survey scans to check for precursor isotopes" value="2" min="1" />
-          <param name="precursorsAfter" type="integer" label="Number of succeeding survey scans to check for precursor isotopes" value="0" min="0" />
-          <param name="halfIsoWidth" type="float" label="Half-width of isolation window" min="0.0001" value="1.25" />
-          <param name="defaultMinCharge" type="integer" label="Minimum possible charge state to apply if no isotope is found" value="0" />
-          <param name="defaultMaxCharge" type="integer" label="Maximum possible charge state to apply if no isotope is found" value="0" />
-        </when>
-      </conditional>
-
-      <repeat name="thresholds" title="Filter by Threshold">
-        <param type="select" label="Specify threshold on" name="threshold_type" help="">
-          <option value="count">Peak count</option>
-          <option value="count-after-ties">Peak count (after ties)</option>
-          <option value="absolute">Peak absolute intensity</option>
-          <option value="bpi-relative">Fraction of base peak intensity</option>
-          <option value="tic-relative">Fraction of total ion current</option>
-          <option value="tic-fraction">Aggregate fraction of total ion current</option>
-        </param>
-        <param type="float" name="value" label="Threshold" value="1" help="For count methods, this is the number of peaks to keep. For the absolute method, this is the raw intensity above/below which peak will be accepted. For the &quot;Aggregated fraction&quot; method, peaks are accepted until this fraction of the TIC is accounted for." />
-        <param type="select" label="Keep" name="orientation">
-          <option value="most-intense">Most intense peaks</option>
-          <option value="least-intense">Least intense peaks</option>
-        </param>
-      </repeat>
-
-      <conditional name="filter_mz_windows">
-        <param name="do_mzwindow_filter" type="boolean" truevalue="true" falsevalue="false" label="Filter m/z Window" help="" />
-        <when value="false" />
-        <when value="true">
-          <param name="mz_window_from" type="float" label="Filter m/z From" value="0.0" optional="false" />
-          <param name="mz_window_to" type="float" label="Filter m/z To" value="0.0" optional="true" />
-        </when>
-      </conditional>
-
-      <conditional name="etd_filtering">
-        <param type="boolean" name="do_etd_filtering" label="Filter out ETD precursor peaks?" truevalue="true" falsevalue="false" />
-        <when value="false" />
-        <when value="true">
-          <param name="remove_precursor" type="select" label="ETD Remove Unreacted Precursor">
-            <option value="true" selected="true">yes</option>
-            <option value="false">no</option>
-          </param>
-          <param name="remove_charge_reduced" type="select" label="ETD Remove Charge Reduced Precursors">
-            <option value="true" selected="true">yes</option>
-            <option value="false">no</option>
-          </param>
-          <param name="remove_neutral_loss" type="select" label="ETD Remove Neutral Losses" help="Remove neutral loss species from nominal and charge reduced precursors">
-            <option value="true" selected="true">yes</option>
-            <option value="false">no</option>
-          </param>
-          <param name="blanket_removal" type="select" label="ETD Blanket Removal of Neutral Losses" help="Remove neutral losses in a charge-scaled 60 Da swath (rather than only around known loss species)">
-            <option value="true" selected="true">yes</option>
-            <option value="false">no</option>
-          </param>
-          <param name="matching_tolerance" type="float" label="ETD Matching Tolerance" value="3.1" />
-          <param name="matching_tolerance_units" type="select" label="Units for ETD Matching Tolerance">
-            <option value="MZ" selected="true">mz</option>
-            <option value="PPM">ppm</option>
-          </param>
-        </when>
-      </conditional>
-
-      <conditional name="ms2denoise">
-        <param name="denoise" type="boolean" label="De-noise MS2 with moving window filter"  />
-        <when value="true">
-          <param name="num_peaks" label="De-noise: Number of peaks in window" value="6" type="integer" />
-          <param name="window_width" type="float" label="De-noise: Window width (Daltons)" value="30" />
-          <param name="relax" label="De-noise: Multicharge fragment relaxation" checked="true" type="boolean" truevalue="true" falsevalue="false" />
-        </when>
-        <when value="false" />
-      </conditional>
-
-      <param name="ms2deisotope" type="boolean" label="Deisotope MS2 using Markey method" help="" truevalue="true" falsevalue="false" />
-
-    </section>
-
-
-    <section name="filtering" title="Scan Inclusion/Exclusion Filters">
-      
-      <param name="activation" type="select" label="Filter by Activation">
-        <option value="false" selected="true">no</option>
-        <option value="ETD">ETD</option>
-        <option value="CID">CID</option>
-        <option value="SA">SA</option>
-        <option value="HCD">HCD</option>
-        <option>BIRD</option>
-        <option>ECD</option>
-        <option>IRMPD</option>
-        <option>PD</option>
-        <option>PSD</option>
-        <option>PQD</option>
-        <option>SID</option>
-        <option>SORI</option>
-      </param>
-
-      <repeat name="indices" title="Filter Scan Indices">
-        <param name="from" type="integer" label="Filter Scan Index From" value="0" optional="false" />
-        <param name="to" type="integer" label="Filter Scan Index To" value="0" optional="true" />
-      </repeat>
-
-      <repeat name="scan_numbers" title="Filter Scan Numbers">
-        <param name="from" type="integer" label="Filter Scan Number From" value="0" optional="false" />
-        <param name="to" type="integer" label="Filter Scan Number To" value="0" optional="true" />
-      </repeat>
-
-      <param type="boolean" name="strip_it" label="Strip Ion Trap MS1 Scans" />
-
-      <conditional name="filter_ms_levels">
-        <param name="do_ms_level_filter" type="boolean" label="Filter MS Levels" />
-        <when value="false" />
-        <when value="true">
-          <param name="ms_level_from" type="integer" label="Filter MS Level From" value="0" optional="false" />
-          <param name="ms_level_to" type="integer" label="Filter MS Level To" value="0" optional="true" />
-        </when>
-      </conditional>
-
-      <param name="polarity" type="select" label="Filter by Polarity">
-        <option value="false" selected="true">no</option>
-        <option value="positive">positive</option>
-        <option value="negative">negative</option>
-      </param>
-
-      <param name="analyzer" type="select" label="Filter by Analyzer">
-        <option value="false" selected="true">no</option>
-        <option value="quad">Quadrupole</option>
-        <option value="orbi">Orbitrap</option>
-        <option value="FT">Fourier-transform</option>
-        <option value="IT">Ion trap</option>
-        <option value="TOF">Time of flight</option>
-      </param>
-    </section>
-
-
-    <section name="settings" title="Output Encoding Settings">
-      <param type="select" name="mz_encoding" label="m/z Encoding Precision">
-        <option value="64" selected="true">64</option>
-        <option value="32">32</option>
-      </param>
-      <param type="select" name="intensity_encoding" label="Intensity Encoding Precision">
-        <option value="64">64</option>
-        <option value="32" selected="true">32</option>
-      </param>
-      <param type="select" name="binary_compression" label="Binary data compression">
-        <option value="false">None</option>
-        <option value="zlib" selected="true">zlib</option>
-        <option value="numpressLinearPic">numpressLinear/numpressPic</option>
-        <option value="numpressLinearSlof">numpressLinear/numpressSlof</option>
-        <option value="numpressLinear">numpressLinear only</option>
-        <option value="numpressPic">numpressPic only</option>
-        <option value="numpressSlof">numpressSlof only</option>
-      </param>
-      <param type="boolean" name="gzip_compression" label="Compress output file with gzip" truevalue="true" falsevalue="false" />
-    </section>
-  </xml>
-  
-  <xml name="msconvertOutput">
-    <outputs>
-      <data format="mzml" name="output" label="${input.name.rsplit('.',1)[0]}.${output_type}" >
-        <change_format>
-          <when input="output_type" value="mz5" format="mz5" />
-          <when input="output_type" value="mzXML" format="mzxml" />
-          <when input="output_type" value="ms2" format="ms2" />
-          <when input="output_type" value="mgf" format="mgf" />
-        </change_format>
-      </data>
-      <data format="csv" name="output_refinement" label="${input.name.rsplit('.',1)[0]}.mzRefinement.tsv">
-        <filter>data_processing['precursor_refinement']['use_mzrefinement'] == True</filter>
-      </data>
-    </outputs>
-  </xml>
-
-
-  <xml name="msconvert_tests">
-    <test>
-      <param name="input" value="small.mzML" />
-      <param name="output_type" value="mzML" />
-      <param name="pick_peaks" value="true" />
-      <param name="pick_peaks_algorithm" value="cwt" />
-      <param name="pick_peaks_ms_levels" value="1-" />
-      <output name="output" file="small-peakpicking-cwt-allMS.mzML" />
-    </test>
-
-    <!-- this data file only has profile MS1, so the result is the same -->
-    <test>
-      <param name="input" value="small.mzML" />
-      <param name="output_type" value="mzML" />
-      <param name="pick_peaks" value="true" />
-      <param name="pick_peaks_algorithm" value="cwt" />
-      <param name="pick_peaks_ms_levels" value="1" />
-      <output name="output" file="small-peakpicking-cwt-allMS.mzML" /> 
-    </test>
-    <test>
-      <param name="input" value="small-peakpicking-cwt-allMS.mzML" />
-      <param name="output_type" value="mz5" />
-      <param name="mz_encoding" value="64" />
-      <param name="intensity_encoding" value="64" />
-      <output name="output" file="small-zlib-64.mz5" compare="sim_size" delta="100" />
-    </test>
-    <test>
-      <param name="input" value="small-peakpicking-cwt-allMS.mzML" />
-      <param name="output_type" value="mzXML" />
-      <param name="mz_encoding" value="32" />
-      <param name="intensity_encoding" value="32" />
-      <output name="output" file="small-zlib-32.mzXML" />
-    </test>
-    <!-- TODO: how to test gzipped output?
-    <test>
-      <param name="input" value="small-peakpicking-cwt-allMS.mzML" />
-      <param name="output_type" value="mzXML" />
-      <param name="mz_encoding" value="32" />
-      <param name="intensity_encoding" value="32" />
-      <param name="binary_compression" value="false" />
-      <param name="gzip_compression" value="true" />
-      <output name="output" file="small-off-32.mzXML.gz" compare="sim_size" delta="100" />
-    </test>
-    <test>
-      <param name="input" value="small-peakpicking-cwt-allMS.mzML" />
-      <param name="output_type" value="mzML" />
-      <param name="mz_encoding" value="32" />
-      <param name="intensity_encoding" value="32" />
-      <param name="binary_compression" value="false" />
-      <param name="gzip_compression" value="true" />
-      <output name="output" file="small-off-32.mzML.gz" compare="sim_size" delta="100" />
-    </test>-->
-
-    <test>
-      <param name="input" value="small-peakpicking-cwt-allMS.mzML" />
-      <param name="output_type" value="mzML" />
-      <param name="binary_compression" value="numpressLinearPic" />
-      <output name="output" file="small-numpressLP.mzML" />
-    </test>
-
-    <test>
-      <param name="input" value="small-peakpicking-cwt-allMS.mzML" />
-      <param name="output_type" value="mzML" />
-      <param name="binary_compression" value="numpressLinearSlof" />
-      <output name="output" file="small-numpressLS.mzML" />
-    </test>
-
-    <test>
-      <param name="input" value="small-peakpicking-cwt-allMS.mzML" />
-      <param name="output_type" value="mzML" />
-      <param name="binary_compression" value="numpressLinear" />
-      <output name="output" file="small-numpressL.mzML" />
-    </test>
-
-    <test>
-      <param name="input" value="small-peakpicking-cwt-allMS.mzML" />
-      <param name="output_type" value="mzML" />
-      <param name="binary_compression" value="numpressPic" />
-      <output name="output" file="small-numpressP.mzML" />
-    </test>
-
-    <test>
-      <param name="input" value="small-peakpicking-cwt-allMS.mzML" />
-      <param name="output_type" value="mzML" />
-      <param name="binary_compression" value="numpressSlof" />
-      <output name="output" file="small-numpressS.mzML" />
-    </test>
-
-    <test>
-      <param name="input" value="Rpal_01.mz5" />
-      <param name="output_type" value="mzML" />
-      <param name="binary_compression" value="numpressLinearPic" />
-      <param name="use_mzrefinement" value="true" />
-      <param name="input_ident" value="Rpal_01.pepXML.gz" />
-      <param name="thresholdScore" value="mvh" />
-      <param name="thresholdValue" value="40-" />
-      <output name="output" file="Rpal_01-mzRefinement.mzML" compare="sim_size" delta="0" />
-      <output name="output.refinement" file="Rpal_01.pepXML.mzRefinement.tsv" />
-    </test>
-    
-    <test>
-      <param name="input" value="small-peakpicking-cwt-allMS.mzML" />
-      <param name="output_type" value="mzML" />
-      <param name="binary_compression" value="numpressLinearPic" />
-      <param name="charge_state_calculation_method" value="predictor" />
-      <param name="predictor_overrideExistingCharge" value="true" />
-      <param name="minMultipleCharge" value="2" />
-      <param name="maxMultipleCharge" value="5" />
-      <param name="singleChargeFractionTIC" value="0.95" />
-      <param name="maxKnownCharge" value="8" />
-      <output name="output" file="small-chargeStatePredictor.mzML" />
-    </test>
-    <test>
-      <param name="input" value="small-peakpicking-cwt-allMS.mzML" />
-      <param name="output_type" value="mzML" />
-      <param name="binary_compression" value="numpressLinearPic" />
-      <param name="charge_state_calculation_method" value="turbocharger" />
-      <param name="minCharge" value="1" />
-      <param name="maxCharge" value="5" />
-      <param name="precursorsBefore" value="1" />
-      <param name="precursorsAfter" value="1" />
-      <param name="halfIsoWidth" value="1.5" />
-      <param name="defaultMinCharge" value="1" />
-      <param name="defaultMaxCharge" value="5" />
-      <output name="output" file="small-turbocharger.mzML" />
-    </test>
-    <test>
-      <param name="input" value="D100930_yeast_SCX10S_rak_ft8E_pc_01.mz5" />
-      <param name="output_type" value="mzML" />
-      <param name="do_etd_filtering" value="true" />
-      <param name="remove_precursor" value="true" />
-      <param name="remove_charge_reduced" value="true" />
-      <param name="remove_neutral_loss" value="false" />
-      <param name="blanket_removal" value="false" />
-      <param name="matching_tolerance" value="50" />
-      <param name="matching_tolerance_units" value="ppm" />
-      <param name="binary_compression" value="numpressLinearPic" />
-      <output name="output" file="D100930_yeast_SCX10S_rak_ft8E_pc_01-etdfilter.mzML" />
-    </test>
-    <test>
-      <param name="input" value="small-peakpicking-cwt-allMS.mzML" />
-      <param name="output_type" value="mzML" />
-      <param name="thresholds_0|threshold_type" value="count" />
-      <param name="thresholds_0|value" value="100" />
-      <param name="thresholds_0|orientation" value="most-intense" />
-      <param name="thresholds_1|threshold_type" value="absolute" />
-      <param name="thresholds_1|value" value="1" />
-      <param name="thresholds_1|orientation" value="most-intense" />
-      <param name="binary_compression" value="numpressLinearPic" />
-      <output name="output" file="small-threshold.mzML" />
-    </test>
-    <test>
-      <param name="input" value="small-peakpicking-cwt-allMS.mzML" />
-      <param name="output_type" value="mzML" />
-      <param name="do_mzwindow_filter" value="true" />
-      <param name="mz_window_from" value="420" />
-      <param name="mz_window_to" value="840" />
-      <param name="binary_compression" value="numpressLinearPic" />
-      <output name="output" file="small-mzWindow.mzML" />
-    </test>
-    <test>
-      <param name="input" value="small-peakpicking-cwt-allMS.mzML" />
-      <param name="output_type" value="mzML" />
-      <param name="denoise" value="true" />
-      <param name="num_peaks" value="10" />
-      <param name="window_width" value="40" />
-      <param name="relax" value="false" />
-      <param name="binary_compression" value="numpressLinearPic" />
-      <output name="output" file="small-denoise.mzML" />
-    </test>
-    <test>
-      <param name="input" value="small-peakpicking-cwt-allMS.mzML" />
-      <param name="output_type" value="mzML" />
-      <param name="ms2deisotope" value="true" />
-      <param name="binary_compression" value="numpressLinearPic" />
-      <output name="output" file="small-deisotope.mzML" />
-    </test>
-    <test>
-      <param name="input" value="small-peakpicking-cwt-allMS.mzML" />
-      <param name="output_type" value="mzML" />
-      <param name="activation" value="CID" />
-      <param name="binary_compression" value="numpressLinearPic" />
-      <output name="output" file="small-activation.mzML" />
-    </test>
-    <test>
-      <param name="input" value="small-peakpicking-cwt-allMS.mzML" />
-      <param name="output_type" value="mzML" />
-      <param name="indices_0|from" value="2" />
-      <param name="indices_0|to" value="4" />
-      <param name="indices_1|from" value="10" />
-      <param name="indices_1|to" value="10" />
-      <param name="indices_2|from" value="13" />
-      <param name="indices_2|to" value="15" />
-      <param name="binary_compression" value="numpressLinearPic" />
-      <output name="output" file="small-index-filter.mzML" />
-    </test>
-    <test>
-      <param name="input" value="small-peakpicking-cwt-allMS.mzML" />
-      <param name="output_type" value="mzML" />
-      <param name="strip_it" value="true" />
-      <param name="binary_compression" value="numpressLinearPic" />
-      <output name="output" file="small-strip-it.mzML" />
-    </test>
-    <test>
-      <param name="input" value="small-peakpicking-cwt-allMS.mzML" />
-      <param name="output_type" value="mzML" />
-      <param name="do_ms_level_filter" value="true" />
-      <param name="ms_level_from" value="2" />
-      <param name="ms_level_to" value="2" />
-      <param name="binary_compression" value="numpressLinearPic" />
-      <output name="output" file="small-ms-level-filter.mzML" />
-    </test>
-    <test>
-      <param name="input" value="small-peakpicking-cwt-allMS.mzML" />
-      <param name="output_type" value="mzML" />
-      <param name="polarity" value="positive" />
-      <param name="binary_compression" value="numpressLinearPic" />
-      <output name="output" file="small-polarity-filter.mzML" />
-    </test>
-    <test>
-      <param name="input" value="small-peakpicking-cwt-allMS.mzML" />
-      <param name="output_type" value="mzML" />
-      <param name="analyzer" value="IT" />
-      <param name="binary_compression" value="numpressLinearPic" />
-      <output name="output" file="small-analyzer-filter.mzML" />
-    </test>
-    <test>
-      <param name="input" value="small-peakpicking-cwt-allMS.mzML" />
-      <param name="output_type" value="mzML" />
-      <param name="scan_numbers_0|from" value="3" />
-      <param name="scan_numbers_0|to" value="5" />
-      <param name="scan_numbers_1|from" value="11" />
-      <param name="scan_numbers_1|to" value="11" />
-      <param name="scan_numbers_2|from" value="14" />
-      <param name="scan_numbers_2|to" value="16" />
-      <param name="binary_compression" value="numpressLinearPic" />
-      <output name="output" file="small-index-filter.mzML" /> <!-- the scan numbers here produce the same output as the index test above -->
-    </test>
-    <!--<test>
-      <param name="input" value="small.mzML" />
-      <param name="output_type" value="mzML" />
-      <param name="binary_compression" value="numpressLinearPic" />
-      <output name="output" file="small-deisotope-poisson.mzML" />
-    </test>-->
-  </xml>
-  <xml name="msconvert_help">
-**What it does**
-
-Allows interconversion within various mass spectrometry peak list formats. Additional options such as filtering and/or precursor recalculation are available.
-
-You can view the original documentation here_.
-
-.. _here: http://proteowizard.sourceforge.net/tools/msconvert.html
-  </xml>
-
-  <xml name="citations">
-    <citations>
-        <citation type="doi">10.1093/bioinformatics/btn323</citation>
-        <citation type="bibtex">@misc{toolsGalaxyP, author = {Chilton, J, Chambers MC, et al.}, title = {Galaxy Proteomics Tools}, publisher = {GitHub}, journal = {GitHub repository},
-                                      year = {2015}, url = {https://github.com/galaxyproteomics/tools-galaxyp}}</citation> <!-- TODO: fix substitution of commit ", commit = {$sha1$}" -->
-    </citations>
-  </xml>
-
-</macros>
diff -r 9e6e840d6b52 -r edb33e8224c6 tool_dependencies.xml
--- a/tool_dependencies.xml	Mon Aug 08 10:43:52 2016 -0400
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,6 +0,0 @@
-<?xml version="1.0"?>
-<tool_dependency>
-  <package name="proteowizard" version="3.0.9016">
-    <repository changeset_revision="e9ae8f0be737" name="package_proteowizard_3_0_9016" owner="galaxyp" toolshed="https://toolshed.g2.bx.psu.edu" />
-  </package>
-</tool_dependency>