Mercurial > repos > bgruening > openms
annotate TOFCalibration.xml @ 4:6ead64a594bd draft default tip
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
| author | bgruening |
|---|---|
| date | Wed, 27 Jan 2016 10:06:49 -0500 |
| parents | 3d84209d3178 |
| children |
| rev | line source |
|---|---|
|
4
6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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1 <?xml version="1.0" encoding="UTF-8"?> |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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2 <!--This is a configuration file for the integration of a tools into Galaxy (https://galaxyproject.org/). This file was automatically generated using CTD2Galaxy.--> |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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3 <!--Proposed Tool Section: [Signal processing and preprocessing]--> |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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4 <tool id="TOFCalibration" name="TOFCalibration" version="2.0.0"> |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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5 <description>Applies time of flight calibration.</description> |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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6 <macros> |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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7 <token name="@EXECUTABLE@">TOFCalibration</token> |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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8 <import>macros.xml</import> |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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9 </macros> |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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10 <expand macro="references"/> |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
bgruening
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11 <expand macro="stdio"/> |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
bgruening
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12 <expand macro="requirements"/> |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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13 <command>TOFCalibration |
| 0 | 14 |
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4
6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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15 #if $param_in: |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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16 -in $param_in |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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17 #end if |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
bgruening
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18 #if $param_out: |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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19 -out $param_out |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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20 #end if |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
bgruening
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21 #if $param_ext_calibrants: |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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22 -ext_calibrants $param_ext_calibrants |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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23 #end if |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
bgruening
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24 #if $param_ref_masses: |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
bgruening
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25 -ref_masses $param_ref_masses |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
bgruening
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26 #end if |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
bgruening
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27 #if $param_tof_const: |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
bgruening
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28 -tof_const $param_tof_const |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
bgruening
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29 #end if |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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30 #if $param_peak_data: |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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31 -peak_data |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
bgruening
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32 #end if |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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33 -threads \${GALAXY_SLOTS:-24} |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
bgruening
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34 #if $param_algorithm_PeakPicker_signal_to_noise: |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
bgruening
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35 -algorithm:PeakPicker:signal_to_noise $param_algorithm_PeakPicker_signal_to_noise |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
bgruening
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36 #end if |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
bgruening
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37 #if $param_algorithm_PeakPicker_peak_width: |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
bgruening
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38 -algorithm:PeakPicker:peak_width $param_algorithm_PeakPicker_peak_width |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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39 #end if |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
bgruening
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40 #if $param_algorithm_PeakPicker_estimate_peak_width: |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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41 -algorithm:PeakPicker:estimate_peak_width |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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42 #end if |
| 0 | 43 #if $adv_opts.adv_opts_selector=='advanced': |
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4
6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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44 #if $adv_opts.param_force: |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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45 -force |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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46 #end if |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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47 #if $adv_opts.param_algorithm_PeakPicker_centroid_percentage: |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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48 -algorithm:PeakPicker:centroid_percentage $adv_opts.param_algorithm_PeakPicker_centroid_percentage |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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49 #end if |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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50 #if $adv_opts.param_algorithm_PeakPicker_fwhm_lower_bound_factor: |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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51 -algorithm:PeakPicker:fwhm_lower_bound_factor $adv_opts.param_algorithm_PeakPicker_fwhm_lower_bound_factor |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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52 #end if |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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53 #if $adv_opts.param_algorithm_PeakPicker_fwhm_upper_bound_factor: |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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54 -algorithm:PeakPicker:fwhm_upper_bound_factor $adv_opts.param_algorithm_PeakPicker_fwhm_upper_bound_factor |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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55 #end if |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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56 #if $adv_opts.param_algorithm_PeakPicker_optimization_iterations: |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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57 -algorithm:PeakPicker:optimization:iterations $adv_opts.param_algorithm_PeakPicker_optimization_iterations |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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58 #end if |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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59 #if $adv_opts.param_algorithm_PeakPicker_optimization_penalties_position: |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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60 -algorithm:PeakPicker:optimization:penalties:position $adv_opts.param_algorithm_PeakPicker_optimization_penalties_position |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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61 #end if |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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62 #if $adv_opts.param_algorithm_PeakPicker_optimization_penalties_left_width: |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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63 -algorithm:PeakPicker:optimization:penalties:left_width $adv_opts.param_algorithm_PeakPicker_optimization_penalties_left_width |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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64 #end if |
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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65 #if $adv_opts.param_algorithm_PeakPicker_optimization_penalties_right_width: |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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66 -algorithm:PeakPicker:optimization:penalties:right_width $adv_opts.param_algorithm_PeakPicker_optimization_penalties_right_width |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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67 #end if |
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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68 #if $adv_opts.param_algorithm_PeakPicker_optimization_penalties_height: |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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69 -algorithm:PeakPicker:optimization:penalties:height $adv_opts.param_algorithm_PeakPicker_optimization_penalties_height |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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70 #end if |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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71 #if $adv_opts.param_algorithm_PeakPicker_optimization_2d_tolerance_mz: |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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72 -algorithm:PeakPicker:optimization:2d:tolerance_mz $adv_opts.param_algorithm_PeakPicker_optimization_2d_tolerance_mz |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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73 #end if |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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74 #if $adv_opts.param_algorithm_PeakPicker_optimization_2d_max_peak_distance: |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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75 -algorithm:PeakPicker:optimization:2d:max_peak_distance $adv_opts.param_algorithm_PeakPicker_optimization_2d_max_peak_distance |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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76 #end if |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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77 #if $adv_opts.param_algorithm_PeakPicker_thresholds_peak_bound: |
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6ead64a594bd
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
bgruening
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78 -algorithm:PeakPicker:thresholds:peak_bound $adv_opts.param_algorithm_PeakPicker_thresholds_peak_bound |
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79 #end if |
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80 #if $adv_opts.param_algorithm_PeakPicker_thresholds_peak_bound_ms2_level: |
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81 -algorithm:PeakPicker:thresholds:peak_bound_ms2_level $adv_opts.param_algorithm_PeakPicker_thresholds_peak_bound_ms2_level |
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82 #end if |
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83 #if $adv_opts.param_algorithm_PeakPicker_thresholds_correlation: |
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84 -algorithm:PeakPicker:thresholds:correlation $adv_opts.param_algorithm_PeakPicker_thresholds_correlation |
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85 #end if |
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86 #if $adv_opts.param_algorithm_PeakPicker_thresholds_noise_level: |
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87 -algorithm:PeakPicker:thresholds:noise_level $adv_opts.param_algorithm_PeakPicker_thresholds_noise_level |
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88 #end if |
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89 #if $adv_opts.param_algorithm_PeakPicker_thresholds_search_radius: |
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90 -algorithm:PeakPicker:thresholds:search_radius $adv_opts.param_algorithm_PeakPicker_thresholds_search_radius |
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91 #end if |
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92 #if $adv_opts.param_algorithm_PeakPicker_wavelet_transform_spacing: |
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93 -algorithm:PeakPicker:wavelet_transform:spacing $adv_opts.param_algorithm_PeakPicker_wavelet_transform_spacing |
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94 #end if |
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95 #if $adv_opts.param_algorithm_PeakPicker_deconvolution_deconvolution: |
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96 -algorithm:PeakPicker:deconvolution:deconvolution |
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97 #end if |
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98 #if $adv_opts.param_algorithm_PeakPicker_deconvolution_asym_threshold: |
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99 -algorithm:PeakPicker:deconvolution:asym_threshold $adv_opts.param_algorithm_PeakPicker_deconvolution_asym_threshold |
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100 #end if |
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101 #if $adv_opts.param_algorithm_PeakPicker_deconvolution_left_width: |
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102 -algorithm:PeakPicker:deconvolution:left_width $adv_opts.param_algorithm_PeakPicker_deconvolution_left_width |
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103 #end if |
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104 #if $adv_opts.param_algorithm_PeakPicker_deconvolution_right_width: |
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105 -algorithm:PeakPicker:deconvolution:right_width $adv_opts.param_algorithm_PeakPicker_deconvolution_right_width |
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106 #end if |
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107 #if $adv_opts.param_algorithm_PeakPicker_deconvolution_scaling: |
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108 -algorithm:PeakPicker:deconvolution:scaling $adv_opts.param_algorithm_PeakPicker_deconvolution_scaling |
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109 #end if |
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110 #if $adv_opts.param_algorithm_PeakPicker_deconvolution_fitting_fwhm_threshold: |
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111 -algorithm:PeakPicker:deconvolution:fitting:fwhm_threshold $adv_opts.param_algorithm_PeakPicker_deconvolution_fitting_fwhm_threshold |
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112 #end if |
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113 #if $adv_opts.param_algorithm_PeakPicker_deconvolution_fitting_eps_abs: |
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114 -algorithm:PeakPicker:deconvolution:fitting:eps_abs $adv_opts.param_algorithm_PeakPicker_deconvolution_fitting_eps_abs |
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115 #end if |
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116 #if $adv_opts.param_algorithm_PeakPicker_deconvolution_fitting_eps_rel: |
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117 -algorithm:PeakPicker:deconvolution:fitting:eps_rel $adv_opts.param_algorithm_PeakPicker_deconvolution_fitting_eps_rel |
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118 #end if |
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119 #if $adv_opts.param_algorithm_PeakPicker_deconvolution_fitting_max_iteration: |
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120 -algorithm:PeakPicker:deconvolution:fitting:max_iteration $adv_opts.param_algorithm_PeakPicker_deconvolution_fitting_max_iteration |
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121 #end if |
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122 #if $adv_opts.param_algorithm_PeakPicker_deconvolution_fitting_penalties_position: |
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123 -algorithm:PeakPicker:deconvolution:fitting:penalties:position $adv_opts.param_algorithm_PeakPicker_deconvolution_fitting_penalties_position |
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124 #end if |
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125 #if $adv_opts.param_algorithm_PeakPicker_deconvolution_fitting_penalties_height: |
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126 -algorithm:PeakPicker:deconvolution:fitting:penalties:height $adv_opts.param_algorithm_PeakPicker_deconvolution_fitting_penalties_height |
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127 #end if |
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128 #if $adv_opts.param_algorithm_PeakPicker_deconvolution_fitting_penalties_left_width: |
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129 -algorithm:PeakPicker:deconvolution:fitting:penalties:left_width $adv_opts.param_algorithm_PeakPicker_deconvolution_fitting_penalties_left_width |
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130 #end if |
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131 #if $adv_opts.param_algorithm_PeakPicker_deconvolution_fitting_penalties_right_width: |
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132 -algorithm:PeakPicker:deconvolution:fitting:penalties:right_width $adv_opts.param_algorithm_PeakPicker_deconvolution_fitting_penalties_right_width |
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133 #end if |
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134 #if $adv_opts.param_algorithm_PeakPicker_SignalToNoiseEstimationParameter_max_intensity: |
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135 -algorithm:PeakPicker:SignalToNoiseEstimationParameter:max_intensity $adv_opts.param_algorithm_PeakPicker_SignalToNoiseEstimationParameter_max_intensity |
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136 #end if |
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137 #if $adv_opts.param_algorithm_PeakPicker_SignalToNoiseEstimationParameter_auto_max_stdev_factor: |
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138 -algorithm:PeakPicker:SignalToNoiseEstimationParameter:auto_max_stdev_factor $adv_opts.param_algorithm_PeakPicker_SignalToNoiseEstimationParameter_auto_max_stdev_factor |
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139 #end if |
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140 #if $adv_opts.param_algorithm_PeakPicker_SignalToNoiseEstimationParameter_auto_max_percentile: |
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141 -algorithm:PeakPicker:SignalToNoiseEstimationParameter:auto_max_percentile $adv_opts.param_algorithm_PeakPicker_SignalToNoiseEstimationParameter_auto_max_percentile |
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142 #end if |
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143 #if $adv_opts.param_algorithm_PeakPicker_SignalToNoiseEstimationParameter_auto_mode: |
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144 -algorithm:PeakPicker:SignalToNoiseEstimationParameter:auto_mode $adv_opts.param_algorithm_PeakPicker_SignalToNoiseEstimationParameter_auto_mode |
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145 #end if |
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146 #if $adv_opts.param_algorithm_PeakPicker_SignalToNoiseEstimationParameter_win_len: |
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147 -algorithm:PeakPicker:SignalToNoiseEstimationParameter:win_len $adv_opts.param_algorithm_PeakPicker_SignalToNoiseEstimationParameter_win_len |
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148 #end if |
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149 #if $adv_opts.param_algorithm_PeakPicker_SignalToNoiseEstimationParameter_bin_count: |
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150 -algorithm:PeakPicker:SignalToNoiseEstimationParameter:bin_count $adv_opts.param_algorithm_PeakPicker_SignalToNoiseEstimationParameter_bin_count |
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151 #end if |
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152 #if $adv_opts.param_algorithm_PeakPicker_SignalToNoiseEstimationParameter_stdev_mp: |
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153 -algorithm:PeakPicker:SignalToNoiseEstimationParameter:stdev_mp $adv_opts.param_algorithm_PeakPicker_SignalToNoiseEstimationParameter_stdev_mp |
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154 #end if |
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155 #if $adv_opts.param_algorithm_PeakPicker_SignalToNoiseEstimationParameter_min_required_elements: |
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156 -algorithm:PeakPicker:SignalToNoiseEstimationParameter:min_required_elements $adv_opts.param_algorithm_PeakPicker_SignalToNoiseEstimationParameter_min_required_elements |
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157 #end if |
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158 #if $adv_opts.param_algorithm_PeakPicker_SignalToNoiseEstimationParameter_noise_for_empty_window: |
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159 -algorithm:PeakPicker:SignalToNoiseEstimationParameter:noise_for_empty_window $adv_opts.param_algorithm_PeakPicker_SignalToNoiseEstimationParameter_noise_for_empty_window |
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160 #end if |
| 0 | 161 #end if |
| 162 </command> | |
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163 <inputs> |
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164 <param format="mzml" help="(-in) " label="input peak or raw data file" name="param_in" optional="False" type="data"/> |
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165 <param format="mzml" help="(-ext_calibrants) " label="input file containing the external calibrant spectra (peak or raw data)" name="param_ext_calibrants" optional="False" type="data"/> |
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166 <param format="txt" help="(-ref_masses) " label="input file containing reference masses of the external calibrant spectra (one per line)" name="param_ref_masses" optional="False" type="data"/> |
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167 <param format="tabular" help="(-tof_const) These can be either two or three constants <br>per set, depending on the conversion type. Either one set for all calibrant spectra <br>(tab separated), or one for each spectrum. <br>For a detailed description, please have a look at the doxygen documentation.(one set, tab separated, per line)" label="File containing TOF conversion constants" name="param_tof_const" optional="False" type="data"/> |
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168 <param checked="false" falsevalue="" help="(-peak_data) " label="set this flag, if you have peak data, not raw data (the picking parameters are accessible only from the INI file)" name="param_peak_data" optional="True" truevalue="-peak_data" type="boolean"/> |
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169 <param help="(-signal_to_noise) " label="Minimal signal to noise ratio for a peak to be picked" min="0.0" name="param_algorithm_PeakPicker_signal_to_noise" optional="True" type="float" value="1.0"/> |
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170 <param help="(-peak_width) " label="Approximate fwhm of the peaks" min="0.0" name="param_algorithm_PeakPicker_peak_width" optional="True" type="float" value="0.15"/> |
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171 <param checked="false" falsevalue="" help="(-estimate_peak_width) Attention: when this flag is set, the peak_width is ignored" label="Flag if the average peak width shall be estimated" name="param_algorithm_PeakPicker_estimate_peak_width" optional="True" truevalue="-algorithm:PeakPicker:estimate_peak_width" type="boolean"/> |
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172 <expand macro="advanced_options"> |
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173 <param checked="false" falsevalue="" help="(-force) " label="Overwrite tool specific checks" name="param_force" optional="True" truevalue="-force" type="boolean"/> |
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174 <param help="(-centroid_percentage) If it is 1 the centroid position corresponds to the position of the highest intensity" label="Percentage of the maximum height that the raw data points must exceed to be taken into account for the calculation of the centroid" max="1.0" min="0.0" name="param_algorithm_PeakPicker_centroid_percentage" optional="True" type="float" value="0.8"/> |
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175 <param help="(-fwhm_lower_bound_factor) All peaks with width smaller than fwhm_bound_factor * peak_width are discarded" label="Factor that calculates the minimal fwhm value from the peak_width" min="0.0" name="param_algorithm_PeakPicker_fwhm_lower_bound_factor" optional="True" type="float" value="0.7"/> |
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176 <param help="(-fwhm_upper_bound_factor) All peaks with width greater than fwhm_upper_bound_factor * peak_width are discarded" label="Factor that calculates the maximal fwhm value from the peak_width" min="0.0" name="param_algorithm_PeakPicker_fwhm_upper_bound_factor" optional="True" type="float" value="20.0"/> |
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177 <param help="(-iterations) " label="maximal number of iterations for the fitting step" min="1" name="param_algorithm_PeakPicker_optimization_iterations" optional="True" type="integer" value="400"/> |
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178 <param help="(-position) " label="penalty term for the fitting of the position:If it differs too much from the initial one it can be penalized" min="0.0" name="param_algorithm_PeakPicker_optimization_penalties_position" optional="True" type="float" value="0.0"/> |
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179 <param help="(-left_width) " label="penalty term for the fitting of the left width:If the left width differs too much from the initial one during the fitting it can be penalized" min="0.0" name="param_algorithm_PeakPicker_optimization_penalties_left_width" optional="True" type="float" value="1.0"/> |
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180 <param help="(-right_width) " label="penalty term for the fitting of the right width:If the right width differs too much from the initial one during the fitting it can be penalized" min="0.0" name="param_algorithm_PeakPicker_optimization_penalties_right_width" optional="True" type="float" value="1.0"/> |
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181 <param help="(-height) " label="penalty term for the fitting of the intensity (only used in 2D Optimization):If it gets negative during the fitting it can be penalized" min="0.0" name="param_algorithm_PeakPicker_optimization_penalties_height" optional="True" type="float" value="1.0"/> |
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182 <param help="(-tolerance_mz) " label="mz tolerance for cluster construction" min="0.0" name="param_algorithm_PeakPicker_optimization_2d_tolerance_mz" optional="True" type="float" value="2.2"/> |
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183 <param help="(-max_peak_distance) " label="maximal peak distance in mz in a cluste" min="0.0" name="param_algorithm_PeakPicker_optimization_2d_max_peak_distance" optional="True" type="float" value="1.2"/> |
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184 <param help="(-peak_bound) " label="Minimal peak intensity" min="0.0" name="param_algorithm_PeakPicker_thresholds_peak_bound" optional="True" type="float" value="10.0"/> |
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185 <param help="(-peak_bound_ms2_level) " label="Minimal peak intensity for MS/MS peaks" min="0.0" name="param_algorithm_PeakPicker_thresholds_peak_bound_ms2_level" optional="True" type="float" value="10.0"/> |
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186 <param help="(-correlation) If a peak has a lower correlation it is skipped" label="minimal correlation of a peak and the raw signal" max="1.0" min="0.0" name="param_algorithm_PeakPicker_thresholds_correlation" optional="True" type="float" value="0.5"/> |
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187 <param help="(-noise_level) " label="noise level for the search of the peak endpoints" min="0.0" name="param_algorithm_PeakPicker_thresholds_noise_level" optional="True" type="float" value="0.1"/> |
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188 <param help="(-search_radius) " label="search radius for the search of the maximum in the signal after a maximum in the cwt was found" min="0" name="param_algorithm_PeakPicker_thresholds_search_radius" optional="True" type="integer" value="3"/> |
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189 <param help="(-spacing) Note that the accuracy of the picked peak's centroid position depends in the Raw data spacing, i.e., 50% of raw peak distance at most" label="Spacing of the CWT" min="0.0" name="param_algorithm_PeakPicker_wavelet_transform_spacing" optional="True" type="float" value="0.001"/> |
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190 <param checked="false" falsevalue="" help="(-deconvolution) " label="If you want heavily overlapping peaks to be separated set this value to "true"" name="param_algorithm_PeakPicker_deconvolution_deconvolution" optional="True" truevalue="-algorithm:PeakPicker:deconvolution:deconvolution" type="boolean"/> |
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191 <param help="(-asym_threshold) " label="If the symmetry of a peak is smaller than asym_thresholds it is assumed that it consists of more than one peak and the deconvolution procedure is started" min="0.0" name="param_algorithm_PeakPicker_deconvolution_asym_threshold" optional="True" type="float" value="0.3"/> |
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192 <param help="(-left_width) " label="1/left_width is the initial value for the left width of the peaks found in the deconvolution step" min="0.0" name="param_algorithm_PeakPicker_deconvolution_left_width" optional="True" type="float" value="2.0"/> |
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193 <param help="(-right_width) " label="1/right_width is the initial value for the right width of the peaks found in the deconvolution step" min="0.0" name="param_algorithm_PeakPicker_deconvolution_right_width" optional="True" type="float" value="2.0"/> |
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194 <param help="(-scaling) The initial value is used for charge 1, for higher charges it is adapted to scaling/charge" label="Initial scaling of the cwt used in the separation of heavily overlapping peaks" min="0.0" name="param_algorithm_PeakPicker_deconvolution_scaling" optional="True" type="float" value="0.12"/> |
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195 <param help="(-fwhm_threshold) " label="If the FWHM of a peak is higher than 'fwhm_thresholds' it is assumed that it consists of more than one peak and the deconvolution procedure is started" min="0.0" name="param_algorithm_PeakPicker_deconvolution_fitting_fwhm_threshold" optional="True" type="float" value="0.7"/> |
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196 <param help="(-eps_abs) " label="if the absolute error gets smaller than this value the fitting is stopped" min="0.0" name="param_algorithm_PeakPicker_deconvolution_fitting_eps_abs" optional="True" type="float" value="9.99999974738e-06"/> |
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197 <param help="(-eps_rel) " label="if the relative error gets smaller than this value the fitting is stopped" min="0.0" name="param_algorithm_PeakPicker_deconvolution_fitting_eps_rel" optional="True" type="float" value="9.99999974738e-06"/> |
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198 <param help="(-max_iteration) " label="maximal number of iterations for the fitting step" min="1" name="param_algorithm_PeakPicker_deconvolution_fitting_max_iteration" optional="True" type="integer" value="10"/> |
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199 <param help="(-position) " label="penalty term for the fitting of the peak position:If the position changes more than 0.5Da during the fitting it can be penalized as well as discrepancies of the peptide mass rule" min="0.0" name="param_algorithm_PeakPicker_deconvolution_fitting_penalties_position" optional="True" type="float" value="0.0"/> |
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200 <param help="(-height) " label="penalty term for the fitting of the intensity:If it gets negative during the fitting it can be penalized" min="0.0" name="param_algorithm_PeakPicker_deconvolution_fitting_penalties_height" optional="True" type="float" value="1.0"/> |
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201 <param help="(-left_width) " label="penalty term for the fitting of the left width:If the left width gets too broad or negative during the fitting it can be penalized" min="0.0" name="param_algorithm_PeakPicker_deconvolution_fitting_penalties_left_width" optional="True" type="float" value="0.0"/> |
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202 <param help="(-right_width) " label="penalty term for the fitting of the right width:If the right width gets too broad or negative during the fitting it can be penalized" min="0.0" name="param_algorithm_PeakPicker_deconvolution_fitting_penalties_right_width" optional="True" type="float" value="0.0"/> |
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203 <param help="(-max_intensity) By default, it will be calculated automatically (see auto_mode). Only provide this parameter if you know what you are doing (and change 'auto_mode' to '-1')! All intensities EQUAL/ABOVE 'max_intensity' will not be added to the histogram. If you choose 'max_intensity' too small, the noise estimate might be too small as well. If chosen too big, the bins become quite large (which you could counter by increasing 'bin_count', which increases runtime)" label="maximal intensity considered for histogram construction" min="-1" name="param_algorithm_PeakPicker_SignalToNoiseEstimationParameter_max_intensity" optional="True" type="integer" value="-1"/> |
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204 <param help="(-auto_max_stdev_factor) " label="parameter for 'max_intensity' estimation (if 'auto_mode' == 0): mean + 'auto_max_stdev_factor' * stdev" max="999.0" min="0.0" name="param_algorithm_PeakPicker_SignalToNoiseEstimationParameter_auto_max_stdev_factor" optional="True" type="float" value="3.0"/> |
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205 <param help="(-auto_max_percentile) " label="parameter for 'max_intensity' estimation (if 'auto_mode' == 1): auto_max_percentile th percentile" max="100" min="0" name="param_algorithm_PeakPicker_SignalToNoiseEstimationParameter_auto_max_percentile" optional="True" type="integer" value="95"/> |
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206 <param help="(-auto_mode) " label="method to use to determine maximal intensity: -1 --> use 'max_intensity'; 0 --> 'auto_max_stdev_factor' method (default); 1 --> 'auto_max_percentile' method" max="1" min="-1" name="param_algorithm_PeakPicker_SignalToNoiseEstimationParameter_auto_mode" optional="True" type="integer" value="0"/> |
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207 <param help="(-win_len) " label="window length in Thomson" min="1.0" name="param_algorithm_PeakPicker_SignalToNoiseEstimationParameter_win_len" optional="True" type="float" value="200.0"/> |
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208 <param help="(-bin_count) " label="number of bins for intensity values" min="3" name="param_algorithm_PeakPicker_SignalToNoiseEstimationParameter_bin_count" optional="True" type="integer" value="30"/> |
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209 <param help="(-stdev_mp) " label="multiplier for stdev" max="999.0" min="0.01" name="param_algorithm_PeakPicker_SignalToNoiseEstimationParameter_stdev_mp" optional="True" type="float" value="3.0"/> |
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210 <param help="(-min_required_elements) " label="minimum number of elements required in a window (otherwise it is considered sparse)" min="1" name="param_algorithm_PeakPicker_SignalToNoiseEstimationParameter_min_required_elements" optional="True" type="integer" value="10"/> |
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211 <param help="(-noise_for_empty_window) " label="noise value used for sparse windows" name="param_algorithm_PeakPicker_SignalToNoiseEstimationParameter_noise_for_empty_window" type="float" value="1e+20"/> |
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212 </expand> |
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213 </inputs> |
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214 <outputs> |
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215 <data format="mzml" name="param_out"/> |
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216 </outputs> |
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217 <help>Applies time of flight calibration. |
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220 For more information, visit http://ftp.mi.fu-berlin.de/OpenMS/release-documentation/html/TOPP_TOFCalibration.html</help> |
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221 </tool> |
