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comparison FileFilter.xml @ 15:fe4e4587d265 draft default tip

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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 3d1e5f37fd16524a415f707772eeb7ead848c5e3
author galaxyp
date Thu, 01 Dec 2022 19:19:27 +0000
parents c8c4aa72a49d
children
comparison
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14:0bb5056cb775 15:fe4e4587d265
1 <?xml version='1.0' encoding='UTF-8'?> 1 <?xml version='1.0' encoding='UTF-8'?>
2 <!--This is a configuration file for the integration of a tools into Galaxy (https://galaxyproject.org/). This file was automatically generated using CTDConverter.--> 2 <!--This is a configuration file for the integration of a tools into Galaxy (https://galaxyproject.org/). This file was automatically generated using CTDConverter.-->
3 <!--Proposed Tool Section: [File Handling]--> 3 <!--Proposed Tool Section: [File Handling]-->
4 <tool id="FileFilter" name="FileFilter" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@" profile="20.05"> 4 <tool id="FileFilter" name="FileFilter" version="@TOOL_VERSION@+galaxy@VERSION_SUFFIX@" profile="21.05">
5 <description>Extracts or manipulates portions of data from peak, feature or consensus-feature files.</description> 5 <description>Extracts or manipulates portions of data from peak, feature or consensus-feature files.</description>
6 <macros> 6 <macros>
7 <token name="@EXECUTABLE@">FileFilter</token> 7 <token name="@EXECUTABLE@">FileFilter</token>
8 <import>macros.xml</import> 8 <import>macros.xml</import>
9 <import>macros_autotest.xml</import>
10 <import>macros_test.xml</import>
11 </macros> 9 </macros>
12 <expand macro="requirements"/> 10 <expand macro="requirements"/>
13 <expand macro="stdio"/> 11 <expand macro="stdio"/>
14 <command detect_errors="exit_code"><![CDATA[@QUOTE_FOO@ 12 <command detect_errors="exit_code"><![CDATA[@QUOTE_FOO@
15 @EXT_FOO@ 13 @EXT_FOO@
63 <configfiles> 61 <configfiles>
64 <inputs name="args_json" data_style="paths"/> 62 <inputs name="args_json" data_style="paths"/>
65 <configfile name="hardcoded_json"><![CDATA[{"log": "log.txt", "threads": "\${GALAXY_SLOTS:-1}", "no_progress": true}]]></configfile> 63 <configfile name="hardcoded_json"><![CDATA[{"log": "log.txt", "threads": "\${GALAXY_SLOTS:-1}", "no_progress": true}]]></configfile>
66 </configfiles> 64 </configfiles>
67 <inputs> 65 <inputs>
68 <param name="in" argument="-in" type="data" format="consensusxml,featurexml,mzml" optional="false" label="Input file" help=" select consensusxml,featurexml,mzml data sets(s)"/> 66 <param argument="-in" type="data" format="consensusxml,featurexml,mzml" optional="false" label="Input file" help=" select consensusxml,featurexml,mzml data sets(s)"/>
69 <param name="out_type" argument="-out_type" display="radio" type="select" optional="false" label="Output file type -- default: determined from file extension or content" help=""> 67 <param argument="-out_type" display="radio" type="select" optional="false" label="Output file type -- default: determined from file extension or content" help="">
70 <option value="consensusXML">consensusxml</option> 68 <option value="consensusXML">consensusxml</option>
71 <option value="featureXML">featurexml</option> 69 <option value="featureXML">featurexml</option>
72 <option value="mzML">mzml</option> 70 <option value="mzML">mzml</option>
73 <expand macro="list_string_san"/> 71 <expand macro="list_string_san" name="out_type"/>
74 </param> 72 </param>
75 <param name="rt" argument="-rt" type="text" optional="true" value=":" label="Retention time range to extract" help=""> 73 <param argument="-rt" type="text" optional="true" value=":" label="Retention time range to extract" help="">
76 <expand macro="list_string_san"/> 74 <expand macro="list_string_san" name="rt"/>
77 </param> 75 </param>
78 <param name="mz" argument="-mz" type="text" optional="true" value=":" label="m/z range to extract (applies to ALL ms levels!)" help=""> 76 <param argument="-mz" type="text" optional="true" value=":" label="m/z range to extract (applies to ALL ms levels!)" help="">
79 <expand macro="list_string_san"/> 77 <expand macro="list_string_san" name="mz"/>
80 </param> 78 </param>
81 <param name="int" argument="-int" type="text" optional="true" value=":" label="Intensity range to extract" help=""> 79 <param argument="-int" type="text" optional="true" value=":" label="Intensity range to extract" help="">
82 <expand macro="list_string_san"/> 80 <expand macro="list_string_san" name="int"/>
83 </param> 81 </param>
84 <param name="sort" argument="-sort" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Sorts the output according to RT and m/z" help=""/> 82 <param argument="-sort" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Sorts the output according to RT and m/z" help=""/>
85 <section name="peak_options" title="Peak data options" help="" expanded="false"> 83 <section name="peak_options" title="Peak data options" help="" expanded="false">
86 <param name="sn" argument="-peak_options:sn" type="float" optional="true" value="0.0" label="Write peaks with S/N &gt; 'sn' values only" help=""/> 84 <param name="sn" argument="-peak_options:sn" type="float" optional="true" value="0.0" label="Write peaks with S/N &gt; 'sn' values only" help=""/>
87 <param name="rm_pc_charge" argument="-peak_options:rm_pc_charge" type="text" optional="true" value="" label="Remove MS(2) spectra with these precursor charges" help="All spectra without precursor are kept! (space separated list, in order to allow for spaces in list items surround them by single quotes)"> 85 <param name="rm_pc_charge" argument="-peak_options:rm_pc_charge" type="text" optional="true" value="" label="Remove MS(2) spectra with these precursor charges" help="All spectra without precursor are kept! (space separated list, in order to allow for spaces in list items surround them by single quotes)">
88 <expand macro="list_integer_valsan"/> 86 <expand macro="list_integer_valsan" name="rm_pc_charge"/>
89 </param> 87 </param>
90 <param name="pc_mz_range" argument="-peak_options:pc_mz_range" type="text" optional="true" value=":" label="MSn (n&gt;=2) precursor filtering according to their m/z value" help="Do not use this flag in conjunction with 'mz', unless you want to actually remove peaks in spectra (see 'mz'). RT filtering is covered by 'rt' and compatible with this flag"> 88 <param name="pc_mz_range" argument="-peak_options:pc_mz_range" type="text" optional="true" value=":" label="MSn (n&gt;=2) precursor filtering according to their m/z value" help="Do not use this flag in conjunction with 'mz', unless you want to actually remove peaks in spectra (see 'mz'). RT filtering is covered by 'rt' and compatible with this flag">
91 <expand macro="list_string_san"/> 89 <expand macro="list_string_san" name="pc_mz_range"/>
92 </param> 90 </param>
93 <param name="pc_mz_list" argument="-peak_options:pc_mz_list" type="text" optional="true" value="" label="List of m/z values" help="If a precursor window covers ANY of these values, the corresponding MS/MS spectrum will be kept (space separated list, in order to allow for spaces in list items surround them by single quotes)"> 91 <param name="pc_mz_list" argument="-peak_options:pc_mz_list" type="text" optional="true" value="" label="List of m/z values" help="If a precursor window covers ANY of these values, the corresponding MS/MS spectrum will be kept (space separated list, in order to allow for spaces in list items surround them by single quotes)">
94 <expand macro="list_float_valsan"/> 92 <expand macro="list_float_valsan" name="pc_mz_list"/>
95 </param> 93 </param>
96 <param name="level" argument="-peak_options:level" type="text" optional="true" value="1 2 3" label="MS levels to extract" help=" (space separated list, in order to allow for spaces in list items surround them by single quotes)"> 94 <param name="level" argument="-peak_options:level" type="text" optional="true" value="1 2 3" label="MS levels to extract" help=" (space separated list, in order to allow for spaces in list items surround them by single quotes)">
97 <expand macro="list_integer_valsan"/> 95 <expand macro="list_integer_valsan" name="level"/>
98 </param> 96 </param>
99 <param name="sort_peaks" argument="-peak_options:sort_peaks" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Sorts the peaks according to m/z" help=""/> 97 <param name="sort_peaks" argument="-peak_options:sort_peaks" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Sorts the peaks according to m/z" help=""/>
100 <param name="no_chromatograms" argument="-peak_options:no_chromatograms" type="boolean" truevalue="true" falsevalue="false" checked="false" label="No conversion to space-saving real chromatograms" help="e.g. from SRM scans"/> 98 <param name="no_chromatograms" argument="-peak_options:no_chromatograms" type="boolean" truevalue="true" falsevalue="false" checked="false" label="No conversion to space-saving real chromatograms" help="e.g. from SRM scans"/>
101 <param name="remove_chromatograms" argument="-peak_options:remove_chromatograms" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Removes chromatograms stored in a file" help=""/> 99 <param name="remove_chromatograms" argument="-peak_options:remove_chromatograms" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Removes chromatograms stored in a file" help=""/>
102 <param name="remove_empty" argument="-peak_options:remove_empty" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Removes spectra and chromatograms without peaks" help=""/> 100 <param name="remove_empty" argument="-peak_options:remove_empty" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Removes spectra and chromatograms without peaks" help=""/>
103 <param name="mz_precision" argument="-peak_options:mz_precision" display="radio" type="select" optional="false" label="Store base64 encoded m/z data using 32 or 64 bit precision" help=""> 101 <param name="mz_precision" argument="-peak_options:mz_precision" type="select" optional="true" label="Store base64 encoded m/z data using 32 or 64 bit precision" help="">
104 <option value="32">32</option> 102 <option value="32">32</option>
105 <option value="64" selected="true">64</option> 103 <option value="64" selected="true">64</option>
106 <expand macro="list_string_san"/> 104 <expand macro="list_string_san" name="mz_precision"/>
107 </param> 105 </param>
108 <param name="int_precision" argument="-peak_options:int_precision" display="radio" type="select" optional="false" label="Store base64 encoded intensity data using 32 or 64 bit precision" help=""> 106 <param name="int_precision" argument="-peak_options:int_precision" type="select" optional="true" label="Store base64 encoded intensity data using 32 or 64 bit precision" help="">
109 <option value="32" selected="true">32</option> 107 <option value="32" selected="true">32</option>
110 <option value="64">64</option> 108 <option value="64">64</option>
111 <expand macro="list_string_san"/> 109 <expand macro="list_string_san" name="int_precision"/>
112 </param> 110 </param>
113 <param name="indexed_file" argument="-peak_options:indexed_file" type="boolean" truevalue="true" falsevalue="false" checked="true" label="Whether to add an index to the file when writing" help=""/> 111 <param name="indexed_file" argument="-peak_options:indexed_file" type="boolean" truevalue="true" falsevalue="false" checked="true" label="Whether to add an index to the file when writing" help=""/>
114 <param name="zlib_compression" argument="-peak_options:zlib_compression" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Whether to store data with zlib compression (lossless compression)" help=""/> 112 <param name="zlib_compression" argument="-peak_options:zlib_compression" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Whether to store data with zlib compression (lossless compression)" help=""/>
115 <section name="numpress" title="Numpress compression for peak data" help="" expanded="false"> 113 <section name="numpress" title="Numpress compression for peak data" help="" expanded="false">
116 <param name="masstime" argument="-peak_options:numpress:masstime" display="radio" type="select" optional="false" label="Apply MS Numpress compression algorithms in m/z or rt dimension (recommended: linear)" help=""> 114 <param name="masstime" argument="-peak_options:numpress:masstime" type="select" optional="true" label="Apply MS Numpress compression algorithms in m/z or rt dimension (recommended: linear)" help="">
117 <option value="none" selected="true">none</option> 115 <option value="none" selected="true">none</option>
118 <option value="linear">linear</option> 116 <option value="linear">linear</option>
119 <option value="pic">pic</option> 117 <option value="pic">pic</option>
120 <option value="slof">slof</option> 118 <option value="slof">slof</option>
121 <expand macro="list_string_san"/> 119 <expand macro="list_string_san" name="masstime"/>
122 </param> 120 </param>
123 <param name="lossy_mass_accuracy" argument="-peak_options:numpress:lossy_mass_accuracy" type="float" optional="true" value="-1.0" label="Desired (absolute) m/z accuracy for lossy compression" help="(e.g. use 0.0001 for a mass accuracy of 0.2 ppm at 500 m/z, default uses -1.0 for maximal accuracy)"/> 121 <param name="lossy_mass_accuracy" argument="-peak_options:numpress:lossy_mass_accuracy" type="float" optional="true" value="-1.0" label="Desired (absolute) m/z accuracy for lossy compression" help="(e.g. use 0.0001 for a mass accuracy of 0.2 ppm at 500 m/z, default uses -1.0 for maximal accuracy)"/>
124 <param name="intensity" argument="-peak_options:numpress:intensity" display="radio" type="select" optional="false" label="Apply MS Numpress compression algorithms in intensity dimension (recommended: slof or pic)" help=""> 122 <param name="intensity" argument="-peak_options:numpress:intensity" type="select" optional="true" label="Apply MS Numpress compression algorithms in intensity dimension (recommended: slof or pic)" help="">
125 <option value="none" selected="true">none</option> 123 <option value="none" selected="true">none</option>
126 <option value="linear">linear</option> 124 <option value="linear">linear</option>
127 <option value="pic">pic</option> 125 <option value="pic">pic</option>
128 <option value="slof">slof</option> 126 <option value="slof">slof</option>
129 <expand macro="list_string_san"/> 127 <expand macro="list_string_san" name="intensity"/>
130 </param> 128 </param>
131 <param name="float_da" argument="-peak_options:numpress:float_da" display="radio" type="select" optional="false" label="Apply MS Numpress compression algorithms for the float data arrays (recommended: slof or pic)" help=""> 129 <param name="float_da" argument="-peak_options:numpress:float_da" type="select" optional="true" label="Apply MS Numpress compression algorithms for the float data arrays (recommended: slof or pic)" help="">
132 <option value="none" selected="true">none</option> 130 <option value="none" selected="true">none</option>
133 <option value="linear">linear</option> 131 <option value="linear">linear</option>
134 <option value="pic">pic</option> 132 <option value="pic">pic</option>
135 <option value="slof">slof</option> 133 <option value="slof">slof</option>
136 <expand macro="list_string_san"/> 134 <expand macro="list_string_san" name="float_da"/>
137 </param> 135 </param>
138 </section> 136 </section>
139 </section> 137 </section>
140 <section name="spectra" title="Remove spectra or select spectra (removing all others) with certain properties" help="" expanded="false"> 138 <section name="spectra" title="Remove spectra or select spectra (removing all others) with certain properties" help="" expanded="false">
141 <param name="remove_zoom" argument="-spectra:remove_zoom" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Remove zoom (enhanced resolution) scans" help=""/> 139 <param name="remove_zoom" argument="-spectra:remove_zoom" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Remove zoom (enhanced resolution) scans" help=""/>
142 <param name="remove_mode" argument="-spectra:remove_mode" type="select" optional="true" label="Remove scans by scan mode" help=""> 140 <param name="remove_mode" argument="-spectra:remove_mode" type="select" optional="true" label="Remove scans by scan mode" help="">
143 <option value="">default (nothing chosen)</option>
144 <option value="Unknown">Unknown</option> 141 <option value="Unknown">Unknown</option>
145 <option value="MassSpectrum">MassSpectrum</option> 142 <option value="MassSpectrum">MassSpectrum</option>
146 <option value="MS1Spectrum">MS1Spectrum</option> 143 <option value="MS1Spectrum">MS1Spectrum</option>
147 <option value="MSnSpectrum">MSnSpectrum</option> 144 <option value="MSnSpectrum">MSnSpectrum</option>
148 <option value="SelectedIonMonitoring">SelectedIonMonitoring</option> 145 <option value="SelectedIonMonitoring">SelectedIonMonitoring</option>
154 <option value="EnhancedMultiplyCharged">EnhancedMultiplyCharged</option> 151 <option value="EnhancedMultiplyCharged">EnhancedMultiplyCharged</option>
155 <option value="TimeDelayedFragmentation">TimeDelayedFragmentation</option> 152 <option value="TimeDelayedFragmentation">TimeDelayedFragmentation</option>
156 <option value="ElectromagneticRadiation">ElectromagneticRadiation</option> 153 <option value="ElectromagneticRadiation">ElectromagneticRadiation</option>
157 <option value="Emission">Emission</option> 154 <option value="Emission">Emission</option>
158 <option value="Absorption">Absorption</option> 155 <option value="Absorption">Absorption</option>
159 <expand macro="list_string_san"/> 156 <expand macro="list_string_san" name="remove_mode"/>
160 </param> 157 </param>
161 <param name="remove_activation" argument="-spectra:remove_activation" type="select" optional="true" label="Remove MSn scans where any of its precursors features a certain activation method" help=""> 158 <param name="remove_activation" argument="-spectra:remove_activation" type="select" optional="true" label="Remove MSn scans where any of its precursors features a certain activation method" help="">
162 <option value="">default (nothing chosen)</option>
163 <option value="Collision-induced dissociation">Collision-induced dissociation</option> 159 <option value="Collision-induced dissociation">Collision-induced dissociation</option>
164 <option value="Post-source decay">Post-source decay</option> 160 <option value="Post-source decay">Post-source decay</option>
165 <option value="Plasma desorption">Plasma desorption</option> 161 <option value="Plasma desorption">Plasma desorption</option>
166 <option value="Surface-induced dissociation">Surface-induced dissociation</option> 162 <option value="Surface-induced dissociation">Surface-induced dissociation</option>
167 <option value="Blackbody infrared radiative dissociation">Blackbody infrared radiative dissociation</option> 163 <option value="Blackbody infrared radiative dissociation">Blackbody infrared radiative dissociation</option>
171 <option value="High-energy collision-induced dissociation">High-energy collision-induced dissociation</option> 167 <option value="High-energy collision-induced dissociation">High-energy collision-induced dissociation</option>
172 <option value="Low-energy collision-induced dissociation">Low-energy collision-induced dissociation</option> 168 <option value="Low-energy collision-induced dissociation">Low-energy collision-induced dissociation</option>
173 <option value="Photodissociation">Photodissociation</option> 169 <option value="Photodissociation">Photodissociation</option>
174 <option value="Electron transfer dissociation">Electron transfer dissociation</option> 170 <option value="Electron transfer dissociation">Electron transfer dissociation</option>
175 <option value="Pulsed q dissociation">Pulsed q dissociation</option> 171 <option value="Pulsed q dissociation">Pulsed q dissociation</option>
176 <expand macro="list_string_san"/> 172 <option value="trap-type collision-induced dissociation">trap-type collision-induced dissociation</option>
173 <option value="beam-type collision-induced dissociation">beam-type collision-induced dissociation</option>
174 <option value="in-source collision-induced dissociation">in-source collision-induced dissociation</option>
175 <option value="Bruker proprietary method">Bruker proprietary method</option>
176 <expand macro="list_string_san" name="remove_activation"/>
177 </param> 177 </param>
178 <param name="remove_collision_energy" argument="-spectra:remove_collision_energy" type="text" optional="true" value=":" label="Remove MSn scans with a collision energy in the given interval" help=""> 178 <param name="remove_collision_energy" argument="-spectra:remove_collision_energy" type="text" optional="true" value=":" label="Remove MSn scans with a collision energy in the given interval" help="">
179 <expand macro="list_string_san"/> 179 <expand macro="list_string_san" name="remove_collision_energy"/>
180 </param> 180 </param>
181 <param name="remove_isolation_window_width" argument="-spectra:remove_isolation_window_width" type="text" optional="true" value=":" label="Remove MSn scans whose isolation window width is in the given interval" help=""> 181 <param name="remove_isolation_window_width" argument="-spectra:remove_isolation_window_width" type="text" optional="true" value=":" label="Remove MSn scans whose isolation window width is in the given interval" help="">
182 <expand macro="list_string_san"/> 182 <expand macro="list_string_san" name="remove_isolation_window_width"/>
183 </param> 183 </param>
184 <param name="select_zoom" argument="-spectra:select_zoom" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Select zoom (enhanced resolution) scans" help=""/> 184 <param name="select_zoom" argument="-spectra:select_zoom" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Select zoom (enhanced resolution) scans" help=""/>
185 <param name="select_mode" argument="-spectra:select_mode" type="select" optional="true" label="Selects scans by scan mode." help=""> 185 <param name="select_mode" argument="-spectra:select_mode" type="select" optional="true" label="Selects scans by scan mode." help="">
186 <option value="">default (nothing chosen)</option>
187 <option value="Unknown">Unknown</option> 186 <option value="Unknown">Unknown</option>
188 <option value="MassSpectrum">MassSpectrum</option> 187 <option value="MassSpectrum">MassSpectrum</option>
189 <option value="MS1Spectrum">MS1Spectrum</option> 188 <option value="MS1Spectrum">MS1Spectrum</option>
190 <option value="MSnSpectrum">MSnSpectrum</option> 189 <option value="MSnSpectrum">MSnSpectrum</option>
191 <option value="SelectedIonMonitoring">SelectedIonMonitoring</option> 190 <option value="SelectedIonMonitoring">SelectedIonMonitoring</option>
197 <option value="EnhancedMultiplyCharged">EnhancedMultiplyCharged</option> 196 <option value="EnhancedMultiplyCharged">EnhancedMultiplyCharged</option>
198 <option value="TimeDelayedFragmentation">TimeDelayedFragmentation</option> 197 <option value="TimeDelayedFragmentation">TimeDelayedFragmentation</option>
199 <option value="ElectromagneticRadiation">ElectromagneticRadiation</option> 198 <option value="ElectromagneticRadiation">ElectromagneticRadiation</option>
200 <option value="Emission">Emission</option> 199 <option value="Emission">Emission</option>
201 <option value="Absorption">Absorption</option> 200 <option value="Absorption">Absorption</option>
202 <expand macro="list_string_san"/> 201 <expand macro="list_string_san" name="select_mode"/>
203 </param> 202 </param>
204 <param name="select_activation" argument="-spectra:select_activation" type="select" optional="true" label="Retain MSn scans where any of its precursors features a certain activation method" help=""> 203 <param name="select_activation" argument="-spectra:select_activation" type="select" optional="true" label="Retain MSn scans where any of its precursors features a certain activation method" help="">
205 <option value="">default (nothing chosen)</option>
206 <option value="Collision-induced dissociation">Collision-induced dissociation</option> 204 <option value="Collision-induced dissociation">Collision-induced dissociation</option>
207 <option value="Post-source decay">Post-source decay</option> 205 <option value="Post-source decay">Post-source decay</option>
208 <option value="Plasma desorption">Plasma desorption</option> 206 <option value="Plasma desorption">Plasma desorption</option>
209 <option value="Surface-induced dissociation">Surface-induced dissociation</option> 207 <option value="Surface-induced dissociation">Surface-induced dissociation</option>
210 <option value="Blackbody infrared radiative dissociation">Blackbody infrared radiative dissociation</option> 208 <option value="Blackbody infrared radiative dissociation">Blackbody infrared radiative dissociation</option>
214 <option value="High-energy collision-induced dissociation">High-energy collision-induced dissociation</option> 212 <option value="High-energy collision-induced dissociation">High-energy collision-induced dissociation</option>
215 <option value="Low-energy collision-induced dissociation">Low-energy collision-induced dissociation</option> 213 <option value="Low-energy collision-induced dissociation">Low-energy collision-induced dissociation</option>
216 <option value="Photodissociation">Photodissociation</option> 214 <option value="Photodissociation">Photodissociation</option>
217 <option value="Electron transfer dissociation">Electron transfer dissociation</option> 215 <option value="Electron transfer dissociation">Electron transfer dissociation</option>
218 <option value="Pulsed q dissociation">Pulsed q dissociation</option> 216 <option value="Pulsed q dissociation">Pulsed q dissociation</option>
219 <expand macro="list_string_san"/> 217 <option value="trap-type collision-induced dissociation">trap-type collision-induced dissociation</option>
218 <option value="beam-type collision-induced dissociation">beam-type collision-induced dissociation</option>
219 <option value="in-source collision-induced dissociation">in-source collision-induced dissociation</option>
220 <option value="Bruker proprietary method">Bruker proprietary method</option>
221 <expand macro="list_string_san" name="select_activation"/>
220 </param> 222 </param>
221 <param name="select_collision_energy" argument="-spectra:select_collision_energy" type="text" optional="true" value=":" label="Select MSn scans with a collision energy in the given interval" help=""> 223 <param name="select_collision_energy" argument="-spectra:select_collision_energy" type="text" optional="true" value=":" label="Select MSn scans with a collision energy in the given interval" help="">
222 <expand macro="list_string_san"/> 224 <expand macro="list_string_san" name="select_collision_energy"/>
223 </param> 225 </param>
224 <param name="select_isolation_window_width" argument="-spectra:select_isolation_window_width" type="text" optional="true" value=":" label="Select MSn scans whose isolation window width is in the given interval" help=""> 226 <param name="select_isolation_window_width" argument="-spectra:select_isolation_window_width" type="text" optional="true" value=":" label="Select MSn scans whose isolation window width is in the given interval" help="">
225 <expand macro="list_string_san"/> 227 <expand macro="list_string_san" name="select_isolation_window_width"/>
226 </param> 228 </param>
227 <param name="select_polarity" argument="-spectra:select_polarity" display="radio" type="select" optional="true" label="Retain MSn scans with a certain scan polarity" help=""> 229 <param name="select_polarity" argument="-spectra:select_polarity" type="select" optional="true" label="Retain MSn scans with a certain scan polarity" help="">
228 <option value="">default (nothing chosen)</option>
229 <option value="unknown">unknown</option> 230 <option value="unknown">unknown</option>
230 <option value="positive">positive</option> 231 <option value="positive">positive</option>
231 <option value="negative">negative</option> 232 <option value="negative">negative</option>
232 <expand macro="list_string_san"/> 233 <expand macro="list_string_san" name="select_polarity"/>
234 </param>
235 <param name="replace_pc_charge" argument="-spectra:replace_pc_charge" type="text" optional="true" value=":" label="Replaces in_charge with out_charge in all precursors" help="">
236 <expand macro="list_string_san" name="replace_pc_charge"/>
233 </param> 237 </param>
234 <section name="blackorwhitelist" title="Black or white listing of of MS2 spectra by spectral similarity" help="" expanded="false"> 238 <section name="blackorwhitelist" title="Black or white listing of of MS2 spectra by spectral similarity" help="" expanded="false">
235 <param name="file" argument="-spectra:blackorwhitelist:file" type="data" format="mzml" optional="true" label="Input file containing MS2 spectra that should be retained or removed from the mzML file" help="Matching tolerances are taken from 'spectra:blackorwhitelist:similarity_threshold|rt|mz' options.. select mzml data sets(s)"/> 239 <param name="file" argument="-spectra:blackorwhitelist:file" type="data" format="mzml" optional="true" label="Input file containing MS2 spectra that should be retained or removed from the mzML file" help="Matching tolerances are taken from 'spectra:blackorwhitelist:similarity_threshold|rt|mz' options.. select mzml data sets(s)"/>
236 <param name="similarity_threshold" argument="-spectra:blackorwhitelist:similarity_threshold" type="float" optional="true" min="-1.0" max="1.0" value="-1.0" label="Similarity threshold when matching MS2 spectra" help="(-1 = disabled)"/> 240 <param name="similarity_threshold" argument="-spectra:blackorwhitelist:similarity_threshold" type="float" optional="true" min="-1.0" max="1.0" value="-1.0" label="Similarity threshold when matching MS2 spectra" help="(-1 = disabled)"/>
237 <param name="rt" argument="-spectra:blackorwhitelist:rt" type="float" optional="true" value="0.01" label="Retention tolerance [s] when matching precursor positions" help="(-1 = disabled)"/> 241 <param name="rt" argument="-spectra:blackorwhitelist:rt" type="float" optional="true" value="0.01" label="Retention tolerance [s] when matching precursor positions" help="(-1 = disabled)"/>
238 <param name="mz" argument="-spectra:blackorwhitelist:mz" type="float" optional="true" value="0.01" label="m/z tolerance [Th] when matching precursor positions" help="(-1 = disabled)"/> 242 <param name="mz" argument="-spectra:blackorwhitelist:mz" type="float" optional="true" value="0.01" label="m/z tolerance [Th] when matching precursor positions" help="(-1 = disabled)"/>
239 <param name="use_ppm_tolerance" argument="-spectra:blackorwhitelist:use_ppm_tolerance" type="text" optional="true" value="false" label="If ppm tolerance should be used" help="Otherwise Da are used"> 243 <param name="use_ppm_tolerance" argument="-spectra:blackorwhitelist:use_ppm_tolerance" type="text" optional="true" value="false" label="If ppm tolerance should be used" help="Otherwise Da are used">
240 <expand macro="list_string_san"/> 244 <expand macro="list_string_san" name="use_ppm_tolerance"/>
241 </param> 245 </param>
242 <param name="blacklist" argument="-spectra:blackorwhitelist:blacklist" type="boolean" truevalue="true" falsevalue="false" checked="true" label="True: remove matched MS2" help="False: retain matched MS2 spectra. Other levels are kept"/> 246 <param name="blacklist" argument="-spectra:blackorwhitelist:blacklist" type="boolean" truevalue="true" falsevalue="false" checked="true" label="True: remove matched MS2" help="False: retain matched MS2 spectra. Other levels are kept"/>
243 </section> 247 </section>
244 </section> 248 </section>
245 <section name="feature" title="Feature data options" help="" expanded="false"> 249 <section name="feature" title="Feature data options" help="" expanded="false">
246 <param name="q" argument="-feature:q" type="text" optional="true" value=":" label="Overall quality range to extract [0:1]" help=""> 250 <param name="q" argument="-feature:q" type="text" optional="true" value=":" label="Overall quality range to extract [0:1]" help="">
247 <expand macro="list_string_san"/> 251 <expand macro="list_string_san" name="q"/>
248 </param> 252 </param>
249 </section> 253 </section>
250 <section name="consensus" title="Consensus feature data options" help="" expanded="false"> 254 <section name="consensus" title="Consensus feature data options" help="" expanded="false">
251 <param name="map" argument="-consensus:map" type="text" optional="true" value="" label="Non-empty list of maps to be extracted from a consensus (indices are 0-based)" help=" (space separated list, in order to allow for spaces in list items surround them by single quotes)"> 255 <param name="map" argument="-consensus:map" type="text" optional="true" value="" label="Non-empty list of maps to be extracted from a consensus (indices are 0-based)" help=" (space separated list, in order to allow for spaces in list items surround them by single quotes)">
252 <expand macro="list_integer_valsan"/> 256 <expand macro="list_integer_valsan" name="map"/>
253 </param> 257 </param>
254 <param name="map_and" argument="-consensus:map_and" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Consensus features are kept only if they contain exactly one feature from each map (as given above in 'map')" help=""/> 258 <param name="map_and" argument="-consensus:map_and" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Consensus features are kept only if they contain exactly one feature from each map (as given above in 'map')" help=""/>
255 <section name="blackorwhitelist" title="Black or white listing of of MS2 spectra by consensus features" help="" expanded="false"> 259 <section name="blackorwhitelist" title="Black or white listing of of MS2 spectra by consensus features" help="" expanded="false">
256 <param name="blacklist" argument="-consensus:blackorwhitelist:blacklist" type="boolean" truevalue="true" falsevalue="false" checked="true" label="True: remove matched MS2" help="False: retain matched MS2 spectra. Other levels are kept"/> 260 <param name="blacklist" argument="-consensus:blackorwhitelist:blacklist" type="boolean" truevalue="true" falsevalue="false" checked="true" label="True: remove matched MS2" help="False: retain matched MS2 spectra. Other levels are kept"/>
257 <param name="file" argument="-consensus:blackorwhitelist:file" type="data" format="consensusxml" optional="true" label="Input file containing consensus features whose corresponding MS2 spectra should be removed from the mzML file" help="Matching tolerances are taken from 'consensus:blackorwhitelist:rt' and 'consensus:blackorwhitelist:mz' options.. If consensus:blackorwhitelist:maps is specified, only these will be used.. select consensusxml data sets(s)"/> 261 <param name="file" argument="-consensus:blackorwhitelist:file" type="data" format="consensusxml" optional="true" label="Input file containing consensus features whose corresponding MS2 spectra should be removed from the mzML file" help="Matching tolerances are taken from 'consensus:blackorwhitelist:rt' and 'consensus:blackorwhitelist:mz' options.. If consensus:blackorwhitelist:maps is specified, only these will be used.. select consensusxml data sets(s)"/>
258 <param name="maps" argument="-consensus:blackorwhitelist:maps" type="text" optional="true" value="" label="Maps used for black/white list filtering" help=" (space separated list, in order to allow for spaces in list items surround them by single quotes)"> 262 <param name="maps" argument="-consensus:blackorwhitelist:maps" type="text" optional="true" value="" label="Maps used for black/white list filtering" help=" (space separated list, in order to allow for spaces in list items surround them by single quotes)">
259 <expand macro="list_integer_valsan"/> 263 <expand macro="list_integer_valsan" name="maps"/>
260 </param> 264 </param>
261 <param name="rt" argument="-consensus:blackorwhitelist:rt" type="float" optional="true" min="0.0" value="60.0" label="Retention tolerance [s] for precursor to consensus feature position" help=""/> 265 <param name="rt" argument="-consensus:blackorwhitelist:rt" type="float" optional="true" min="0.0" value="60.0" label="Retention tolerance [s] for precursor to consensus feature position" help=""/>
262 <param name="mz" argument="-consensus:blackorwhitelist:mz" type="float" optional="true" min="0.0" value="0.01" label="m/z tolerance [Th] for precursor to consensus feature position" help=""/> 266 <param name="mz" argument="-consensus:blackorwhitelist:mz" type="float" optional="true" min="0.0" value="0.01" label="m/z tolerance [Th] for precursor to consensus feature position" help=""/>
263 <param name="use_ppm_tolerance" argument="-consensus:blackorwhitelist:use_ppm_tolerance" type="boolean" truevalue="true" falsevalue="false" checked="false" label="If ppm tolerance should be used" help="Otherwise Da are used"/> 267 <param name="use_ppm_tolerance" argument="-consensus:blackorwhitelist:use_ppm_tolerance" type="boolean" truevalue="true" falsevalue="false" checked="false" label="If ppm tolerance should be used" help="Otherwise Da are used"/>
264 </section> 268 </section>
265 </section> 269 </section>
266 <section name="f_and_c" title="Feature &amp; Consensus data options" help="" expanded="false"> 270 <section name="f_and_c" title="Feature &amp; Consensus data options" help="" expanded="false">
267 <param name="charge" argument="-f_and_c:charge" type="text" optional="true" value=":" label="Charge range to extract" help=""> 271 <param name="charge" argument="-f_and_c:charge" type="text" optional="true" value=":" label="Charge range to extract" help="">
268 <expand macro="list_string_san"/> 272 <expand macro="list_string_san" name="charge"/>
269 </param> 273 </param>
270 <param name="size" argument="-f_and_c:size" type="text" optional="true" value=":" label="Size range to extract" help=""> 274 <param name="size" argument="-f_and_c:size" type="text" optional="true" value=":" label="Size range to extract" help="">
271 <expand macro="list_string_san"/> 275 <expand macro="list_string_san" name="size"/>
272 </param> 276 </param>
273 <param name="remove_meta" argument="-f_and_c:remove_meta" type="text" optional="true" value="" label="Expects a 3-tuple (=3 entries in the list)" help="i.e. &lt;name&gt; 'lt|eq|gt' &lt;value&gt;; the first is the name of meta value, followed by the comparison operator (equal, less or greater) and the value to compare to. All comparisons are done after converting the given value to the corresponding data value type of the meta value (for lists, this simply compares length, not content!)! (space separated list, in order to allow for spaces in list items surround them by single quotes)"> 277 <param name="remove_meta" argument="-f_and_c:remove_meta" type="text" optional="true" value="" label="Expects a 3-tuple (=3 entries in the list)" help="i.e. &lt;name&gt; 'lt|eq|gt' &lt;value&gt;; the first is the name of meta value, followed by the comparison operator (equal, less or greater) and the value to compare to. All comparisons are done after converting the given value to the corresponding data value type of the meta value (for lists, this simply compares length, not content!)! (space separated list, in order to allow for spaces in list items surround them by single quotes)">
274 <expand macro="list_string_val"/> 278 <expand macro="list_string_val" name="remove_meta"/>
275 <expand macro="list_string_san"/> 279 <expand macro="list_string_san" name="remove_meta"/>
276 </param> 280 </param>
277 </section> 281 </section>
278 <section name="id" title="ID options" help="The Priority of the id-flags is: remove_annotated_features / remove_unannotated_features -&gt; remove_clashes -&gt; keep_best_score_id -&gt; sequences_whitelist / accessions_whitelist" expanded="false"> 282 <section name="id" title="ID options" help="The Priority of the id-flags is: remove_annotated_features / remove_unannotated_features -&gt; remove_clashes -&gt; keep_best_score_id -&gt; sequences_whitelist / accessions_whitelist" expanded="false">
279 <param name="remove_clashes" argument="-id:remove_clashes" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Remove features with id clashes (different sequences mapped to one feature)" help=""/> 283 <param name="remove_clashes" argument="-id:remove_clashes" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Remove features with id clashes (different sequences mapped to one feature)" help=""/>
280 <param name="keep_best_score_id" argument="-id:keep_best_score_id" type="boolean" truevalue="true" falsevalue="false" checked="false" label="in case of multiple peptide identifications, keep only the id with best score" help=""/> 284 <param name="keep_best_score_id" argument="-id:keep_best_score_id" type="boolean" truevalue="true" falsevalue="false" checked="false" label="in case of multiple peptide identifications, keep only the id with best score" help=""/>
281 <param name="sequences_whitelist" argument="-id:sequences_whitelist" type="text" optional="true" value="" label="Keep only features containing whitelisted substrings" help="e.g. features containing LYSNLVER or the modification (Oxidation). To control comparison method used for whitelisting, see 'id:sequence_comparison_method' (space separated list, in order to allow for spaces in list items surround them by single quotes)"> 285 <param name="sequences_whitelist" argument="-id:sequences_whitelist" type="text" optional="true" value="" label="Keep only features containing whitelisted substrings" help="e.g. features containing LYSNLVER or the modification (Oxidation). To control comparison method used for whitelisting, see 'id:sequence_comparison_method' (space separated list, in order to allow for spaces in list items surround them by single quotes)">
282 <expand macro="list_string_val"/> 286 <expand macro="list_string_val" name="sequences_whitelist"/>
283 <expand macro="list_string_san"/> 287 <expand macro="list_string_san" name="sequences_whitelist"/>
284 </param> 288 </param>
285 <param name="sequence_comparison_method" argument="-id:sequence_comparison_method" display="radio" type="select" optional="false" label="Comparison method used to determine if a feature is whitelisted" help=""> 289 <param name="sequence_comparison_method" argument="-id:sequence_comparison_method" type="select" optional="true" label="Comparison method used to determine if a feature is whitelisted" help="">
286 <option value="substring" selected="true">substring</option> 290 <option value="substring" selected="true">substring</option>
287 <option value="exact">exact</option> 291 <option value="exact">exact</option>
288 <expand macro="list_string_san"/> 292 <expand macro="list_string_san" name="sequence_comparison_method"/>
289 </param> 293 </param>
290 <param name="accessions_whitelist" argument="-id:accessions_whitelist" type="text" optional="true" value="" label="keep only features with white listed accessions" help="e.g. sp|P02662|CASA1_BOVIN (space separated list, in order to allow for spaces in list items surround them by single quotes)"> 294 <param name="accessions_whitelist" argument="-id:accessions_whitelist" type="text" optional="true" value="" label="keep only features with white listed accessions" help="e.g. sp|P02662|CASA1_BOVIN (space separated list, in order to allow for spaces in list items surround them by single quotes)">
291 <expand macro="list_string_val"/> 295 <expand macro="list_string_val" name="accessions_whitelist"/>
292 <expand macro="list_string_san"/> 296 <expand macro="list_string_san" name="accessions_whitelist"/>
293 </param> 297 </param>
294 <param name="remove_annotated_features" argument="-id:remove_annotated_features" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Remove features with annotations" help=""/> 298 <param name="remove_annotated_features" argument="-id:remove_annotated_features" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Remove features with annotations" help=""/>
295 <param name="remove_unannotated_features" argument="-id:remove_unannotated_features" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Remove features without annotations" help=""/> 299 <param name="remove_unannotated_features" argument="-id:remove_unannotated_features" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Remove features without annotations" help=""/>
296 <param name="remove_unassigned_ids" argument="-id:remove_unassigned_ids" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Remove unassigned peptide identifications" help=""/> 300 <param name="remove_unassigned_ids" argument="-id:remove_unassigned_ids" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Remove unassigned peptide identifications" help=""/>
297 <param name="blacklist" argument="-id:blacklist" type="data" format="idxml" optional="true" label="Input file containing MS2 identifications whose corresponding MS2 spectra should be removed from the mzML file" help="Matching tolerances are taken from 'id:rt' and 'id:mz' options.. This tool will require all IDs to be matched to an MS2 spectrum, and quit with error otherwise. Use 'id:blacklist_imperfect' to allow for mismatches select idxml data sets(s)"/> 301 <param name="blacklist" argument="-id:blacklist" type="data" format="idxml" optional="true" label="Input file containing MS2 identifications whose corresponding MS2 spectra should be removed from the mzML file" help="Matching tolerances are taken from 'id:rt' and 'id:mz' options.. This tool will require all IDs to be matched to an MS2 spectrum, and quit with error otherwise. Use 'id:blacklist_imperfect' to allow for mismatches select idxml data sets(s)"/>
311 <param name="noise_for_empty_window" argument="-algorithm:SignalToNoise:noise_for_empty_window" type="float" optional="true" value="1e+20" label="noise value used for sparse windows" help=""/> 315 <param name="noise_for_empty_window" argument="-algorithm:SignalToNoise:noise_for_empty_window" type="float" optional="true" value="1e+20" label="noise value used for sparse windows" help=""/>
312 <param name="write_log_messages" argument="-algorithm:SignalToNoise:write_log_messages" type="boolean" truevalue="true" falsevalue="false" checked="true" label="Write out log messages in case of sparse windows or median in rightmost histogram bin" help=""/> 316 <param name="write_log_messages" argument="-algorithm:SignalToNoise:write_log_messages" type="boolean" truevalue="true" falsevalue="false" checked="true" label="Write out log messages in case of sparse windows or median in rightmost histogram bin" help=""/>
313 </section> 317 </section>
314 </section> 318 </section>
315 <expand macro="adv_opts_macro"> 319 <expand macro="adv_opts_macro">
316 <param name="force" argument="-force" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Overrides tool-specific checks" help=""/> 320 <param argument="-force" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Overrides tool-specific checks" help=""/>
317 <param name="test" argument="-test" type="hidden" optional="true" value="False" label="Enables the test mode (needed for internal use only)" help=""> 321 <param argument="-test" type="hidden" optional="true" value="False" label="Enables the test mode (needed for internal use only)" help="">
318 <expand macro="list_string_san"/> 322 <expand macro="list_string_san" name="test"/>
319 </param> 323 </param>
320 </expand> 324 </expand>
321 <param name="OPTIONAL_OUTPUTS" type="select" optional="true" multiple="true" label="Optional outputs"> 325 <param name="OPTIONAL_OUTPUTS" type="select" optional="true" multiple="true" label="Optional outputs">
322 <option value="ctd_out_FLAG">Output used ctd (ini) configuration file</option> 326 <option value="ctd_out_FLAG">Output used ctd (ini) configuration file</option>
323 </param> 327 </param>
324 </inputs> 328 </inputs>
325 <outputs> 329 <outputs>
326 <data name="out" label="${tool.name} on ${on_string}: out"> 330 <data name="out" label="${tool.name} on ${on_string}: out" format="consensusxml">
327 <change_format> 331 <change_format>
328 <when input="out_type" value="consensusXML" format="consensusxml"/>
329 <when input="out_type" value="featureXML" format="featurexml"/> 332 <when input="out_type" value="featureXML" format="featurexml"/>
330 <when input="out_type" value="mzML" format="mzml"/> 333 <when input="out_type" value="mzML" format="mzml"/>
331 </change_format> 334 </change_format>
332 </data> 335 </data>
333 <data name="ctd_out" format="xml" label="${tool.name} on ${on_string}: ctd"> 336 <data name="ctd_out" format="xml" label="${tool.name} on ${on_string}: ctd">
334 <filter>OPTIONAL_OUTPUTS is not None and "ctd_out_FLAG" in OPTIONAL_OUTPUTS</filter> 337 <filter>OPTIONAL_OUTPUTS is not None and "ctd_out_FLAG" in OPTIONAL_OUTPUTS</filter>
335 </data> 338 </data>
336 </outputs> 339 </outputs>
337 <tests> 340 <tests><!-- TOPP_FileFilter_1 -->
338 <expand macro="autotest_FileFilter"/> 341 <test expect_num_outputs="2">
339 <expand macro="manutest_FileFilter"/> 342 <section name="adv_opts">
343 <param name="force" value="false"/>
344 <param name="test" value="true"/>
345 </section>
346 <param name="in" value="FileFilter_1_input.mzML"/>
347 <output name="out" file="FileFilter_1_output.mzML" compare="sim_size" delta_frac="0.7" ftype="mzml"/>
348 <param name="out_type" value="mzML"/>
349 <param name="rt" value=":30"/>
350 <param name="mz" value=":1000"/>
351 <param name="int" value=":20000"/>
352 <param name="sort" value="false"/>
353 <section name="peak_options">
354 <param name="sn" value="0.0"/>
355 <param name="rm_pc_charge" value=""/>
356 <param name="pc_mz_range" value=":"/>
357 <param name="pc_mz_list" value=""/>
358 <param name="level" value="1 2 3"/>
359 <param name="sort_peaks" value="false"/>
360 <param name="no_chromatograms" value="false"/>
361 <param name="remove_chromatograms" value="false"/>
362 <param name="remove_empty" value="false"/>
363 <param name="mz_precision" value="64"/>
364 <param name="int_precision" value="32"/>
365 <param name="indexed_file" value="true"/>
366 <param name="zlib_compression" value="false"/>
367 <section name="numpress">
368 <param name="masstime" value="none"/>
369 <param name="lossy_mass_accuracy" value="-1.0"/>
370 <param name="intensity" value="none"/>
371 <param name="float_da" value="none"/>
372 </section>
373 </section>
374 <section name="spectra">
375 <param name="remove_zoom" value="false"/>
376 <param name="remove_mode"/>
377 <param name="remove_activation"/>
378 <param name="remove_collision_energy" value=":"/>
379 <param name="remove_isolation_window_width" value=":"/>
380 <param name="select_zoom" value="false"/>
381 <param name="select_mode"/>
382 <param name="select_activation"/>
383 <param name="select_collision_energy" value=":"/>
384 <param name="select_isolation_window_width" value=":"/>
385 <param name="select_polarity"/>
386 <param name="replace_pc_charge" value=":"/>
387 <section name="blackorwhitelist">
388 <param name="similarity_threshold" value="-1.0"/>
389 <param name="rt" value="0.01"/>
390 <param name="mz" value="0.01"/>
391 <param name="use_ppm_tolerance" value="false"/>
392 <param name="blacklist" value="true"/>
393 </section>
394 </section>
395 <section name="feature">
396 <param name="q" value=":"/>
397 </section>
398 <section name="consensus">
399 <param name="map" value=""/>
400 <param name="map_and" value="false"/>
401 <section name="blackorwhitelist">
402 <param name="blacklist" value="true"/>
403 <param name="maps" value=""/>
404 <param name="rt" value="60.0"/>
405 <param name="mz" value="0.01"/>
406 <param name="use_ppm_tolerance" value="false"/>
407 </section>
408 </section>
409 <section name="f_and_c">
410 <param name="charge" value=":"/>
411 <param name="size" value=":"/>
412 <param name="remove_meta" value=""/>
413 </section>
414 <section name="id">
415 <param name="remove_clashes" value="false"/>
416 <param name="keep_best_score_id" value="false"/>
417 <param name="sequences_whitelist" value=""/>
418 <param name="sequence_comparison_method" value="substring"/>
419 <param name="accessions_whitelist" value=""/>
420 <param name="remove_annotated_features" value="false"/>
421 <param name="remove_unannotated_features" value="false"/>
422 <param name="remove_unassigned_ids" value="false"/>
423 <param name="rt" value="0.1"/>
424 <param name="mz" value="0.001"/>
425 <param name="blacklist_imperfect" value="false"/>
426 </section>
427 <section name="algorithm">
428 <section name="SignalToNoise">
429 <param name="max_intensity" value="-1"/>
430 <param name="auto_max_stdev_factor" value="3.0"/>
431 <param name="auto_max_percentile" value="95"/>
432 <param name="auto_mode" value="0"/>
433 <param name="win_len" value="200.0"/>
434 <param name="bin_count" value="30"/>
435 <param name="min_required_elements" value="10"/>
436 <param name="noise_for_empty_window" value="1e+20"/>
437 <param name="write_log_messages" value="true"/>
438 </section>
439 </section>
440 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
441 <output name="ctd_out" ftype="xml">
442 <assert_contents>
443 <is_valid_xml/>
444 </assert_contents>
445 </output>
446 </test>
447 <!-- TOPP_FileFilter_2 -->
448 <test expect_num_outputs="2">
449 <section name="adv_opts">
450 <param name="force" value="false"/>
451 <param name="test" value="true"/>
452 </section>
453 <param name="in" value="FileFilter_1_input.mzML"/>
454 <output name="out" file="FileFilter_2_output.mzML" compare="sim_size" delta_frac="0.7" ftype="mzml"/>
455 <param name="out_type" value="mzML"/>
456 <param name="rt" value="30:"/>
457 <param name="mz" value="1000:"/>
458 <param name="int" value="100:"/>
459 <param name="sort" value="false"/>
460 <section name="peak_options">
461 <param name="sn" value="0.0"/>
462 <param name="rm_pc_charge" value=""/>
463 <param name="pc_mz_range" value=":"/>
464 <param name="pc_mz_list" value=""/>
465 <param name="level" value="1 2 3"/>
466 <param name="sort_peaks" value="false"/>
467 <param name="no_chromatograms" value="false"/>
468 <param name="remove_chromatograms" value="false"/>
469 <param name="remove_empty" value="false"/>
470 <param name="mz_precision" value="64"/>
471 <param name="int_precision" value="32"/>
472 <param name="indexed_file" value="true"/>
473 <param name="zlib_compression" value="false"/>
474 <section name="numpress">
475 <param name="masstime" value="none"/>
476 <param name="lossy_mass_accuracy" value="-1.0"/>
477 <param name="intensity" value="none"/>
478 <param name="float_da" value="none"/>
479 </section>
480 </section>
481 <section name="spectra">
482 <param name="remove_zoom" value="false"/>
483 <param name="remove_mode"/>
484 <param name="remove_activation"/>
485 <param name="remove_collision_energy" value=":"/>
486 <param name="remove_isolation_window_width" value=":"/>
487 <param name="select_zoom" value="false"/>
488 <param name="select_mode"/>
489 <param name="select_activation"/>
490 <param name="select_collision_energy" value=":"/>
491 <param name="select_isolation_window_width" value=":"/>
492 <param name="select_polarity"/>
493 <param name="replace_pc_charge" value=":"/>
494 <section name="blackorwhitelist">
495 <param name="similarity_threshold" value="-1.0"/>
496 <param name="rt" value="0.01"/>
497 <param name="mz" value="0.01"/>
498 <param name="use_ppm_tolerance" value="false"/>
499 <param name="blacklist" value="true"/>
500 </section>
501 </section>
502 <section name="feature">
503 <param name="q" value=":"/>
504 </section>
505 <section name="consensus">
506 <param name="map" value=""/>
507 <param name="map_and" value="false"/>
508 <section name="blackorwhitelist">
509 <param name="blacklist" value="true"/>
510 <param name="maps" value=""/>
511 <param name="rt" value="60.0"/>
512 <param name="mz" value="0.01"/>
513 <param name="use_ppm_tolerance" value="false"/>
514 </section>
515 </section>
516 <section name="f_and_c">
517 <param name="charge" value=":"/>
518 <param name="size" value=":"/>
519 <param name="remove_meta" value=""/>
520 </section>
521 <section name="id">
522 <param name="remove_clashes" value="false"/>
523 <param name="keep_best_score_id" value="false"/>
524 <param name="sequences_whitelist" value=""/>
525 <param name="sequence_comparison_method" value="substring"/>
526 <param name="accessions_whitelist" value=""/>
527 <param name="remove_annotated_features" value="false"/>
528 <param name="remove_unannotated_features" value="false"/>
529 <param name="remove_unassigned_ids" value="false"/>
530 <param name="rt" value="0.1"/>
531 <param name="mz" value="0.001"/>
532 <param name="blacklist_imperfect" value="false"/>
533 </section>
534 <section name="algorithm">
535 <section name="SignalToNoise">
536 <param name="max_intensity" value="-1"/>
537 <param name="auto_max_stdev_factor" value="3.0"/>
538 <param name="auto_max_percentile" value="95"/>
539 <param name="auto_mode" value="0"/>
540 <param name="win_len" value="200.0"/>
541 <param name="bin_count" value="30"/>
542 <param name="min_required_elements" value="10"/>
543 <param name="noise_for_empty_window" value="1e+20"/>
544 <param name="write_log_messages" value="true"/>
545 </section>
546 </section>
547 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
548 <output name="ctd_out" ftype="xml">
549 <assert_contents>
550 <is_valid_xml/>
551 </assert_contents>
552 </output>
553 </test>
554 <!-- TOPP_FileFilter_3 -->
555 <test expect_num_outputs="2">
556 <section name="adv_opts">
557 <param name="force" value="false"/>
558 <param name="test" value="true"/>
559 </section>
560 <param name="in" value="FileFilter_1_input.mzML"/>
561 <output name="out" file="FileFilter_3_output.mzML" compare="sim_size" delta_frac="0.7" ftype="mzml"/>
562 <param name="out_type" value="mzML"/>
563 <param name="rt" value=":"/>
564 <param name="mz" value=":"/>
565 <param name="int" value=":"/>
566 <param name="sort" value="false"/>
567 <section name="peak_options">
568 <param name="sn" value="0.0"/>
569 <param name="rm_pc_charge" value=""/>
570 <param name="pc_mz_range" value=":"/>
571 <param name="pc_mz_list" value=""/>
572 <param name="level" value="2"/>
573 <param name="sort_peaks" value="false"/>
574 <param name="no_chromatograms" value="false"/>
575 <param name="remove_chromatograms" value="false"/>
576 <param name="remove_empty" value="false"/>
577 <param name="mz_precision" value="64"/>
578 <param name="int_precision" value="32"/>
579 <param name="indexed_file" value="true"/>
580 <param name="zlib_compression" value="false"/>
581 <section name="numpress">
582 <param name="masstime" value="none"/>
583 <param name="lossy_mass_accuracy" value="-1.0"/>
584 <param name="intensity" value="none"/>
585 <param name="float_da" value="none"/>
586 </section>
587 </section>
588 <section name="spectra">
589 <param name="remove_zoom" value="false"/>
590 <param name="remove_mode"/>
591 <param name="remove_activation"/>
592 <param name="remove_collision_energy" value=":"/>
593 <param name="remove_isolation_window_width" value=":"/>
594 <param name="select_zoom" value="false"/>
595 <param name="select_mode"/>
596 <param name="select_activation"/>
597 <param name="select_collision_energy" value=":"/>
598 <param name="select_isolation_window_width" value=":"/>
599 <param name="select_polarity"/>
600 <param name="replace_pc_charge" value=":"/>
601 <section name="blackorwhitelist">
602 <param name="similarity_threshold" value="-1.0"/>
603 <param name="rt" value="0.01"/>
604 <param name="mz" value="0.01"/>
605 <param name="use_ppm_tolerance" value="false"/>
606 <param name="blacklist" value="true"/>
607 </section>
608 </section>
609 <section name="feature">
610 <param name="q" value=":"/>
611 </section>
612 <section name="consensus">
613 <param name="map" value=""/>
614 <param name="map_and" value="false"/>
615 <section name="blackorwhitelist">
616 <param name="blacklist" value="true"/>
617 <param name="maps" value=""/>
618 <param name="rt" value="60.0"/>
619 <param name="mz" value="0.01"/>
620 <param name="use_ppm_tolerance" value="false"/>
621 </section>
622 </section>
623 <section name="f_and_c">
624 <param name="charge" value=":"/>
625 <param name="size" value=":"/>
626 <param name="remove_meta" value=""/>
627 </section>
628 <section name="id">
629 <param name="remove_clashes" value="false"/>
630 <param name="keep_best_score_id" value="false"/>
631 <param name="sequences_whitelist" value=""/>
632 <param name="sequence_comparison_method" value="substring"/>
633 <param name="accessions_whitelist" value=""/>
634 <param name="remove_annotated_features" value="false"/>
635 <param name="remove_unannotated_features" value="false"/>
636 <param name="remove_unassigned_ids" value="false"/>
637 <param name="rt" value="0.1"/>
638 <param name="mz" value="0.001"/>
639 <param name="blacklist_imperfect" value="false"/>
640 </section>
641 <section name="algorithm">
642 <section name="SignalToNoise">
643 <param name="max_intensity" value="-1"/>
644 <param name="auto_max_stdev_factor" value="3.0"/>
645 <param name="auto_max_percentile" value="95"/>
646 <param name="auto_mode" value="0"/>
647 <param name="win_len" value="200.0"/>
648 <param name="bin_count" value="30"/>
649 <param name="min_required_elements" value="10"/>
650 <param name="noise_for_empty_window" value="1e+20"/>
651 <param name="write_log_messages" value="true"/>
652 </section>
653 </section>
654 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
655 <output name="ctd_out" ftype="xml">
656 <assert_contents>
657 <is_valid_xml/>
658 </assert_contents>
659 </output>
660 </test>
661 <!-- TOPP_FileFilter_4 -->
662 <test expect_num_outputs="2">
663 <section name="adv_opts">
664 <param name="force" value="false"/>
665 <param name="test" value="true"/>
666 </section>
667 <param name="in" value="FileFilter_4_input.mzML"/>
668 <output name="out" file="FileFilter_4_output.mzML" compare="sim_size" delta_frac="0.7" ftype="mzml"/>
669 <param name="out_type" value="mzML"/>
670 <param name="rt" value=":"/>
671 <param name="mz" value=":"/>
672 <param name="int" value=":"/>
673 <param name="sort" value="false"/>
674 <section name="peak_options">
675 <param name="sn" value="0.0"/>
676 <param name="rm_pc_charge" value=""/>
677 <param name="pc_mz_range" value=":"/>
678 <param name="pc_mz_list" value=""/>
679 <param name="level" value="1 2 3"/>
680 <param name="sort_peaks" value="false"/>
681 <param name="no_chromatograms" value="false"/>
682 <param name="remove_chromatograms" value="false"/>
683 <param name="remove_empty" value="false"/>
684 <param name="mz_precision" value="64"/>
685 <param name="int_precision" value="32"/>
686 <param name="indexed_file" value="true"/>
687 <param name="zlib_compression" value="false"/>
688 <section name="numpress">
689 <param name="masstime" value="none"/>
690 <param name="lossy_mass_accuracy" value="-1.0"/>
691 <param name="intensity" value="none"/>
692 <param name="float_da" value="none"/>
693 </section>
694 </section>
695 <section name="spectra">
696 <param name="remove_zoom" value="true"/>
697 <param name="remove_mode"/>
698 <param name="remove_activation"/>
699 <param name="remove_collision_energy" value=":"/>
700 <param name="remove_isolation_window_width" value=":"/>
701 <param name="select_zoom" value="false"/>
702 <param name="select_mode"/>
703 <param name="select_activation"/>
704 <param name="select_collision_energy" value=":"/>
705 <param name="select_isolation_window_width" value=":"/>
706 <param name="select_polarity"/>
707 <param name="replace_pc_charge" value=":"/>
708 <section name="blackorwhitelist">
709 <param name="similarity_threshold" value="-1.0"/>
710 <param name="rt" value="0.01"/>
711 <param name="mz" value="0.01"/>
712 <param name="use_ppm_tolerance" value="false"/>
713 <param name="blacklist" value="true"/>
714 </section>
715 </section>
716 <section name="feature">
717 <param name="q" value=":"/>
718 </section>
719 <section name="consensus">
720 <param name="map" value=""/>
721 <param name="map_and" value="false"/>
722 <section name="blackorwhitelist">
723 <param name="blacklist" value="true"/>
724 <param name="maps" value=""/>
725 <param name="rt" value="60.0"/>
726 <param name="mz" value="0.01"/>
727 <param name="use_ppm_tolerance" value="false"/>
728 </section>
729 </section>
730 <section name="f_and_c">
731 <param name="charge" value=":"/>
732 <param name="size" value=":"/>
733 <param name="remove_meta" value=""/>
734 </section>
735 <section name="id">
736 <param name="remove_clashes" value="false"/>
737 <param name="keep_best_score_id" value="false"/>
738 <param name="sequences_whitelist" value=""/>
739 <param name="sequence_comparison_method" value="substring"/>
740 <param name="accessions_whitelist" value=""/>
741 <param name="remove_annotated_features" value="false"/>
742 <param name="remove_unannotated_features" value="false"/>
743 <param name="remove_unassigned_ids" value="false"/>
744 <param name="rt" value="0.1"/>
745 <param name="mz" value="0.001"/>
746 <param name="blacklist_imperfect" value="false"/>
747 </section>
748 <section name="algorithm">
749 <section name="SignalToNoise">
750 <param name="max_intensity" value="-1"/>
751 <param name="auto_max_stdev_factor" value="3.0"/>
752 <param name="auto_max_percentile" value="95"/>
753 <param name="auto_mode" value="0"/>
754 <param name="win_len" value="200.0"/>
755 <param name="bin_count" value="30"/>
756 <param name="min_required_elements" value="10"/>
757 <param name="noise_for_empty_window" value="1e+20"/>
758 <param name="write_log_messages" value="true"/>
759 </section>
760 </section>
761 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
762 <output name="ctd_out" ftype="xml">
763 <assert_contents>
764 <is_valid_xml/>
765 </assert_contents>
766 </output>
767 </test>
768 <!-- TOPP_FileFilter_5 -->
769 <test expect_num_outputs="2">
770 <section name="adv_opts">
771 <param name="force" value="false"/>
772 <param name="test" value="true"/>
773 </section>
774 <param name="in" value="FileFilter_5_input.featureXML"/>
775 <output name="out" file="FileFilter_5_out.featureXML" compare="sim_size" delta_frac="0.7" ftype="featurexml"/>
776 <param name="out_type" value="featureXML"/>
777 <param name="rt" value=":1000"/>
778 <param name="mz" value=":480"/>
779 <param name="int" value=":79000"/>
780 <param name="sort" value="false"/>
781 <section name="peak_options">
782 <param name="sn" value="0.0"/>
783 <param name="rm_pc_charge" value=""/>
784 <param name="pc_mz_range" value=":"/>
785 <param name="pc_mz_list" value=""/>
786 <param name="level" value="1 2 3"/>
787 <param name="sort_peaks" value="false"/>
788 <param name="no_chromatograms" value="false"/>
789 <param name="remove_chromatograms" value="false"/>
790 <param name="remove_empty" value="false"/>
791 <param name="mz_precision" value="64"/>
792 <param name="int_precision" value="32"/>
793 <param name="indexed_file" value="true"/>
794 <param name="zlib_compression" value="false"/>
795 <section name="numpress">
796 <param name="masstime" value="none"/>
797 <param name="lossy_mass_accuracy" value="-1.0"/>
798 <param name="intensity" value="none"/>
799 <param name="float_da" value="none"/>
800 </section>
801 </section>
802 <section name="spectra">
803 <param name="remove_zoom" value="false"/>
804 <param name="remove_mode"/>
805 <param name="remove_activation"/>
806 <param name="remove_collision_energy" value=":"/>
807 <param name="remove_isolation_window_width" value=":"/>
808 <param name="select_zoom" value="false"/>
809 <param name="select_mode"/>
810 <param name="select_activation"/>
811 <param name="select_collision_energy" value=":"/>
812 <param name="select_isolation_window_width" value=":"/>
813 <param name="select_polarity"/>
814 <param name="replace_pc_charge" value=":"/>
815 <section name="blackorwhitelist">
816 <param name="similarity_threshold" value="-1.0"/>
817 <param name="rt" value="0.01"/>
818 <param name="mz" value="0.01"/>
819 <param name="use_ppm_tolerance" value="false"/>
820 <param name="blacklist" value="true"/>
821 </section>
822 </section>
823 <section name="feature">
824 <param name="q" value=":0.6"/>
825 </section>
826 <section name="consensus">
827 <param name="map" value=""/>
828 <param name="map_and" value="false"/>
829 <section name="blackorwhitelist">
830 <param name="blacklist" value="true"/>
831 <param name="maps" value=""/>
832 <param name="rt" value="60.0"/>
833 <param name="mz" value="0.01"/>
834 <param name="use_ppm_tolerance" value="false"/>
835 </section>
836 </section>
837 <section name="f_and_c">
838 <param name="charge" value=":3"/>
839 <param name="size" value=":"/>
840 <param name="remove_meta" value=""/>
841 </section>
842 <section name="id">
843 <param name="remove_clashes" value="false"/>
844 <param name="keep_best_score_id" value="false"/>
845 <param name="sequences_whitelist" value=""/>
846 <param name="sequence_comparison_method" value="substring"/>
847 <param name="accessions_whitelist" value=""/>
848 <param name="remove_annotated_features" value="false"/>
849 <param name="remove_unannotated_features" value="false"/>
850 <param name="remove_unassigned_ids" value="false"/>
851 <param name="rt" value="0.1"/>
852 <param name="mz" value="0.001"/>
853 <param name="blacklist_imperfect" value="false"/>
854 </section>
855 <section name="algorithm">
856 <section name="SignalToNoise">
857 <param name="max_intensity" value="-1"/>
858 <param name="auto_max_stdev_factor" value="3.0"/>
859 <param name="auto_max_percentile" value="95"/>
860 <param name="auto_mode" value="0"/>
861 <param name="win_len" value="200.0"/>
862 <param name="bin_count" value="30"/>
863 <param name="min_required_elements" value="10"/>
864 <param name="noise_for_empty_window" value="1e+20"/>
865 <param name="write_log_messages" value="true"/>
866 </section>
867 </section>
868 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
869 <output name="ctd_out" ftype="xml">
870 <assert_contents>
871 <is_valid_xml/>
872 </assert_contents>
873 </output>
874 </test>
875 <!-- TOPP_FileFilter_6 -->
876 <test expect_num_outputs="2">
877 <section name="adv_opts">
878 <param name="force" value="false"/>
879 <param name="test" value="true"/>
880 </section>
881 <param name="in" value="FileFilter_5_input.featureXML"/>
882 <output name="out" file="FileFilter_6_out.featureXML" compare="sim_size" delta_frac="0.7" ftype="featurexml"/>
883 <param name="out_type" value="featureXML"/>
884 <param name="rt" value="1000:"/>
885 <param name="mz" value="440:"/>
886 <param name="int" value="70000:"/>
887 <param name="sort" value="false"/>
888 <section name="peak_options">
889 <param name="sn" value="0.0"/>
890 <param name="rm_pc_charge" value=""/>
891 <param name="pc_mz_range" value=":"/>
892 <param name="pc_mz_list" value=""/>
893 <param name="level" value="1 2 3"/>
894 <param name="sort_peaks" value="false"/>
895 <param name="no_chromatograms" value="false"/>
896 <param name="remove_chromatograms" value="false"/>
897 <param name="remove_empty" value="false"/>
898 <param name="mz_precision" value="64"/>
899 <param name="int_precision" value="32"/>
900 <param name="indexed_file" value="true"/>
901 <param name="zlib_compression" value="false"/>
902 <section name="numpress">
903 <param name="masstime" value="none"/>
904 <param name="lossy_mass_accuracy" value="-1.0"/>
905 <param name="intensity" value="none"/>
906 <param name="float_da" value="none"/>
907 </section>
908 </section>
909 <section name="spectra">
910 <param name="remove_zoom" value="false"/>
911 <param name="remove_mode"/>
912 <param name="remove_activation"/>
913 <param name="remove_collision_energy" value=":"/>
914 <param name="remove_isolation_window_width" value=":"/>
915 <param name="select_zoom" value="false"/>
916 <param name="select_mode"/>
917 <param name="select_activation"/>
918 <param name="select_collision_energy" value=":"/>
919 <param name="select_isolation_window_width" value=":"/>
920 <param name="select_polarity"/>
921 <param name="replace_pc_charge" value=":"/>
922 <section name="blackorwhitelist">
923 <param name="similarity_threshold" value="-1.0"/>
924 <param name="rt" value="0.01"/>
925 <param name="mz" value="0.01"/>
926 <param name="use_ppm_tolerance" value="false"/>
927 <param name="blacklist" value="true"/>
928 </section>
929 </section>
930 <section name="feature">
931 <param name="q" value="0.51:"/>
932 </section>
933 <section name="consensus">
934 <param name="map" value=""/>
935 <param name="map_and" value="false"/>
936 <section name="blackorwhitelist">
937 <param name="blacklist" value="true"/>
938 <param name="maps" value=""/>
939 <param name="rt" value="60.0"/>
940 <param name="mz" value="0.01"/>
941 <param name="use_ppm_tolerance" value="false"/>
942 </section>
943 </section>
944 <section name="f_and_c">
945 <param name="charge" value="3:"/>
946 <param name="size" value=":"/>
947 <param name="remove_meta" value=""/>
948 </section>
949 <section name="id">
950 <param name="remove_clashes" value="false"/>
951 <param name="keep_best_score_id" value="false"/>
952 <param name="sequences_whitelist" value=""/>
953 <param name="sequence_comparison_method" value="substring"/>
954 <param name="accessions_whitelist" value=""/>
955 <param name="remove_annotated_features" value="false"/>
956 <param name="remove_unannotated_features" value="false"/>
957 <param name="remove_unassigned_ids" value="false"/>
958 <param name="rt" value="0.1"/>
959 <param name="mz" value="0.001"/>
960 <param name="blacklist_imperfect" value="false"/>
961 </section>
962 <section name="algorithm">
963 <section name="SignalToNoise">
964 <param name="max_intensity" value="-1"/>
965 <param name="auto_max_stdev_factor" value="3.0"/>
966 <param name="auto_max_percentile" value="95"/>
967 <param name="auto_mode" value="0"/>
968 <param name="win_len" value="200.0"/>
969 <param name="bin_count" value="30"/>
970 <param name="min_required_elements" value="10"/>
971 <param name="noise_for_empty_window" value="1e+20"/>
972 <param name="write_log_messages" value="true"/>
973 </section>
974 </section>
975 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
976 <output name="ctd_out" ftype="xml">
977 <assert_contents>
978 <is_valid_xml/>
979 </assert_contents>
980 </output>
981 </test>
982 <!-- TOPP_FileFilter_7 -->
983 <test expect_num_outputs="2">
984 <section name="adv_opts">
985 <param name="force" value="false"/>
986 <param name="test" value="true"/>
987 </section>
988 <param name="in" value="FileFilter_7_input.mzML"/>
989 <output name="out" file="FileFilter_7_output.mzML" compare="sim_size" delta_frac="0.7" ftype="mzml"/>
990 <param name="out_type" value="mzML"/>
991 <param name="rt" value=":"/>
992 <param name="mz" value=":"/>
993 <param name="int" value="7000:"/>
994 <param name="sort" value="false"/>
995 <section name="peak_options">
996 <param name="sn" value="0.0"/>
997 <param name="rm_pc_charge" value=""/>
998 <param name="pc_mz_range" value=":"/>
999 <param name="pc_mz_list" value=""/>
1000 <param name="level" value="1 2 3"/>
1001 <param name="sort_peaks" value="false"/>
1002 <param name="no_chromatograms" value="false"/>
1003 <param name="remove_chromatograms" value="false"/>
1004 <param name="remove_empty" value="false"/>
1005 <param name="mz_precision" value="64"/>
1006 <param name="int_precision" value="32"/>
1007 <param name="indexed_file" value="true"/>
1008 <param name="zlib_compression" value="false"/>
1009 <section name="numpress">
1010 <param name="masstime" value="none"/>
1011 <param name="lossy_mass_accuracy" value="-1.0"/>
1012 <param name="intensity" value="none"/>
1013 <param name="float_da" value="none"/>
1014 </section>
1015 </section>
1016 <section name="spectra">
1017 <param name="remove_zoom" value="false"/>
1018 <param name="remove_mode"/>
1019 <param name="remove_activation"/>
1020 <param name="remove_collision_energy" value=":"/>
1021 <param name="remove_isolation_window_width" value=":"/>
1022 <param name="select_zoom" value="false"/>
1023 <param name="select_mode"/>
1024 <param name="select_activation"/>
1025 <param name="select_collision_energy" value=":"/>
1026 <param name="select_isolation_window_width" value=":"/>
1027 <param name="select_polarity"/>
1028 <param name="replace_pc_charge" value=":"/>
1029 <section name="blackorwhitelist">
1030 <param name="similarity_threshold" value="-1.0"/>
1031 <param name="rt" value="0.01"/>
1032 <param name="mz" value="0.01"/>
1033 <param name="use_ppm_tolerance" value="false"/>
1034 <param name="blacklist" value="true"/>
1035 </section>
1036 </section>
1037 <section name="feature">
1038 <param name="q" value=":"/>
1039 </section>
1040 <section name="consensus">
1041 <param name="map" value=""/>
1042 <param name="map_and" value="false"/>
1043 <section name="blackorwhitelist">
1044 <param name="blacklist" value="true"/>
1045 <param name="maps" value=""/>
1046 <param name="rt" value="60.0"/>
1047 <param name="mz" value="0.01"/>
1048 <param name="use_ppm_tolerance" value="false"/>
1049 </section>
1050 </section>
1051 <section name="f_and_c">
1052 <param name="charge" value=":"/>
1053 <param name="size" value=":"/>
1054 <param name="remove_meta" value=""/>
1055 </section>
1056 <section name="id">
1057 <param name="remove_clashes" value="false"/>
1058 <param name="keep_best_score_id" value="false"/>
1059 <param name="sequences_whitelist" value=""/>
1060 <param name="sequence_comparison_method" value="substring"/>
1061 <param name="accessions_whitelist" value=""/>
1062 <param name="remove_annotated_features" value="false"/>
1063 <param name="remove_unannotated_features" value="false"/>
1064 <param name="remove_unassigned_ids" value="false"/>
1065 <param name="rt" value="0.1"/>
1066 <param name="mz" value="0.001"/>
1067 <param name="blacklist_imperfect" value="false"/>
1068 </section>
1069 <section name="algorithm">
1070 <section name="SignalToNoise">
1071 <param name="max_intensity" value="-1"/>
1072 <param name="auto_max_stdev_factor" value="3.0"/>
1073 <param name="auto_max_percentile" value="95"/>
1074 <param name="auto_mode" value="0"/>
1075 <param name="win_len" value="200.0"/>
1076 <param name="bin_count" value="30"/>
1077 <param name="min_required_elements" value="10"/>
1078 <param name="noise_for_empty_window" value="1e+20"/>
1079 <param name="write_log_messages" value="true"/>
1080 </section>
1081 </section>
1082 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
1083 <output name="ctd_out" ftype="xml">
1084 <assert_contents>
1085 <is_valid_xml/>
1086 </assert_contents>
1087 </output>
1088 </test>
1089 <!-- TOPP_FileFilter_8 -->
1090 <test expect_num_outputs="2">
1091 <section name="adv_opts">
1092 <param name="force" value="false"/>
1093 <param name="test" value="true"/>
1094 </section>
1095 <param name="in" value="FileFilter_8_input.consensusXML"/>
1096 <output name="out" file="FileFilter_8_output.consensusXML" compare="sim_size" delta_frac="0.7" ftype="consensusxml"/>
1097 <param name="out_type" value="consensusXML"/>
1098 <param name="rt" value="600:1400"/>
1099 <param name="mz" value="700:2300"/>
1100 <param name="int" value="1100:6000"/>
1101 <param name="sort" value="false"/>
1102 <section name="peak_options">
1103 <param name="sn" value="0.0"/>
1104 <param name="rm_pc_charge" value=""/>
1105 <param name="pc_mz_range" value=":"/>
1106 <param name="pc_mz_list" value=""/>
1107 <param name="level" value="1 2 3"/>
1108 <param name="sort_peaks" value="false"/>
1109 <param name="no_chromatograms" value="false"/>
1110 <param name="remove_chromatograms" value="false"/>
1111 <param name="remove_empty" value="false"/>
1112 <param name="mz_precision" value="64"/>
1113 <param name="int_precision" value="32"/>
1114 <param name="indexed_file" value="true"/>
1115 <param name="zlib_compression" value="false"/>
1116 <section name="numpress">
1117 <param name="masstime" value="none"/>
1118 <param name="lossy_mass_accuracy" value="-1.0"/>
1119 <param name="intensity" value="none"/>
1120 <param name="float_da" value="none"/>
1121 </section>
1122 </section>
1123 <section name="spectra">
1124 <param name="remove_zoom" value="false"/>
1125 <param name="remove_mode"/>
1126 <param name="remove_activation"/>
1127 <param name="remove_collision_energy" value=":"/>
1128 <param name="remove_isolation_window_width" value=":"/>
1129 <param name="select_zoom" value="false"/>
1130 <param name="select_mode"/>
1131 <param name="select_activation"/>
1132 <param name="select_collision_energy" value=":"/>
1133 <param name="select_isolation_window_width" value=":"/>
1134 <param name="select_polarity"/>
1135 <param name="replace_pc_charge" value=":"/>
1136 <section name="blackorwhitelist">
1137 <param name="similarity_threshold" value="-1.0"/>
1138 <param name="rt" value="0.01"/>
1139 <param name="mz" value="0.01"/>
1140 <param name="use_ppm_tolerance" value="false"/>
1141 <param name="blacklist" value="true"/>
1142 </section>
1143 </section>
1144 <section name="feature">
1145 <param name="q" value=":"/>
1146 </section>
1147 <section name="consensus">
1148 <param name="map" value=""/>
1149 <param name="map_and" value="false"/>
1150 <section name="blackorwhitelist">
1151 <param name="blacklist" value="true"/>
1152 <param name="maps" value=""/>
1153 <param name="rt" value="60.0"/>
1154 <param name="mz" value="0.01"/>
1155 <param name="use_ppm_tolerance" value="false"/>
1156 </section>
1157 </section>
1158 <section name="f_and_c">
1159 <param name="charge" value=":"/>
1160 <param name="size" value=":"/>
1161 <param name="remove_meta" value=""/>
1162 </section>
1163 <section name="id">
1164 <param name="remove_clashes" value="false"/>
1165 <param name="keep_best_score_id" value="false"/>
1166 <param name="sequences_whitelist" value=""/>
1167 <param name="sequence_comparison_method" value="substring"/>
1168 <param name="accessions_whitelist" value=""/>
1169 <param name="remove_annotated_features" value="false"/>
1170 <param name="remove_unannotated_features" value="false"/>
1171 <param name="remove_unassigned_ids" value="false"/>
1172 <param name="rt" value="0.1"/>
1173 <param name="mz" value="0.001"/>
1174 <param name="blacklist_imperfect" value="false"/>
1175 </section>
1176 <section name="algorithm">
1177 <section name="SignalToNoise">
1178 <param name="max_intensity" value="-1"/>
1179 <param name="auto_max_stdev_factor" value="3.0"/>
1180 <param name="auto_max_percentile" value="95"/>
1181 <param name="auto_mode" value="0"/>
1182 <param name="win_len" value="200.0"/>
1183 <param name="bin_count" value="30"/>
1184 <param name="min_required_elements" value="10"/>
1185 <param name="noise_for_empty_window" value="1e+20"/>
1186 <param name="write_log_messages" value="true"/>
1187 </section>
1188 </section>
1189 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
1190 <output name="ctd_out" ftype="xml">
1191 <assert_contents>
1192 <is_valid_xml/>
1193 </assert_contents>
1194 </output>
1195 </test>
1196 <!-- TOPP_FileFilter_9 -->
1197 <test expect_num_outputs="2">
1198 <section name="adv_opts">
1199 <param name="force" value="false"/>
1200 <param name="test" value="true"/>
1201 </section>
1202 <param name="in" value="FileFilter_9_input.mzML"/>
1203 <output name="out" file="FileFilter_9_output.mzML" compare="sim_size" delta_frac="0.7" ftype="mzml"/>
1204 <param name="out_type" value="mzML"/>
1205 <param name="rt" value=":"/>
1206 <param name="mz" value=":"/>
1207 <param name="int" value=":"/>
1208 <param name="sort" value="false"/>
1209 <section name="peak_options">
1210 <param name="sn" value="0.0"/>
1211 <param name="rm_pc_charge" value=""/>
1212 <param name="pc_mz_range" value=":"/>
1213 <param name="pc_mz_list" value=""/>
1214 <param name="level" value="1 2 3"/>
1215 <param name="sort_peaks" value="false"/>
1216 <param name="no_chromatograms" value="false"/>
1217 <param name="remove_chromatograms" value="false"/>
1218 <param name="remove_empty" value="false"/>
1219 <param name="mz_precision" value="64"/>
1220 <param name="int_precision" value="32"/>
1221 <param name="indexed_file" value="true"/>
1222 <param name="zlib_compression" value="false"/>
1223 <section name="numpress">
1224 <param name="masstime" value="none"/>
1225 <param name="lossy_mass_accuracy" value="-1.0"/>
1226 <param name="intensity" value="none"/>
1227 <param name="float_da" value="none"/>
1228 </section>
1229 </section>
1230 <section name="spectra">
1231 <param name="remove_zoom" value="false"/>
1232 <param name="remove_mode" value="SelectedIonMonitoring"/>
1233 <param name="remove_activation"/>
1234 <param name="remove_collision_energy" value=":"/>
1235 <param name="remove_isolation_window_width" value=":"/>
1236 <param name="select_zoom" value="false"/>
1237 <param name="select_mode"/>
1238 <param name="select_activation"/>
1239 <param name="select_collision_energy" value=":"/>
1240 <param name="select_isolation_window_width" value=":"/>
1241 <param name="select_polarity"/>
1242 <param name="replace_pc_charge" value=":"/>
1243 <section name="blackorwhitelist">
1244 <param name="similarity_threshold" value="-1.0"/>
1245 <param name="rt" value="0.01"/>
1246 <param name="mz" value="0.01"/>
1247 <param name="use_ppm_tolerance" value="false"/>
1248 <param name="blacklist" value="true"/>
1249 </section>
1250 </section>
1251 <section name="feature">
1252 <param name="q" value=":"/>
1253 </section>
1254 <section name="consensus">
1255 <param name="map" value=""/>
1256 <param name="map_and" value="false"/>
1257 <section name="blackorwhitelist">
1258 <param name="blacklist" value="true"/>
1259 <param name="maps" value=""/>
1260 <param name="rt" value="60.0"/>
1261 <param name="mz" value="0.01"/>
1262 <param name="use_ppm_tolerance" value="false"/>
1263 </section>
1264 </section>
1265 <section name="f_and_c">
1266 <param name="charge" value=":"/>
1267 <param name="size" value=":"/>
1268 <param name="remove_meta" value=""/>
1269 </section>
1270 <section name="id">
1271 <param name="remove_clashes" value="false"/>
1272 <param name="keep_best_score_id" value="false"/>
1273 <param name="sequences_whitelist" value=""/>
1274 <param name="sequence_comparison_method" value="substring"/>
1275 <param name="accessions_whitelist" value=""/>
1276 <param name="remove_annotated_features" value="false"/>
1277 <param name="remove_unannotated_features" value="false"/>
1278 <param name="remove_unassigned_ids" value="false"/>
1279 <param name="rt" value="0.1"/>
1280 <param name="mz" value="0.001"/>
1281 <param name="blacklist_imperfect" value="false"/>
1282 </section>
1283 <section name="algorithm">
1284 <section name="SignalToNoise">
1285 <param name="max_intensity" value="-1"/>
1286 <param name="auto_max_stdev_factor" value="3.0"/>
1287 <param name="auto_max_percentile" value="95"/>
1288 <param name="auto_mode" value="0"/>
1289 <param name="win_len" value="200.0"/>
1290 <param name="bin_count" value="30"/>
1291 <param name="min_required_elements" value="10"/>
1292 <param name="noise_for_empty_window" value="1e+20"/>
1293 <param name="write_log_messages" value="true"/>
1294 </section>
1295 </section>
1296 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
1297 <output name="ctd_out" ftype="xml">
1298 <assert_contents>
1299 <is_valid_xml/>
1300 </assert_contents>
1301 </output>
1302 </test>
1303 <!-- TOPP_FileFilter_10 -->
1304 <test expect_num_outputs="2">
1305 <section name="adv_opts">
1306 <param name="force" value="false"/>
1307 <param name="test" value="true"/>
1308 </section>
1309 <param name="in" value="FileFilter_10_input.mzML"/>
1310 <output name="out" file="FileFilter_10_output.mzML" compare="sim_size" delta_frac="0.7" ftype="mzml"/>
1311 <param name="out_type" value="mzML"/>
1312 <param name="rt" value=":"/>
1313 <param name="mz" value=":"/>
1314 <param name="int" value=":"/>
1315 <param name="sort" value="false"/>
1316 <section name="peak_options">
1317 <param name="sn" value="0.0"/>
1318 <param name="rm_pc_charge" value=""/>
1319 <param name="pc_mz_range" value=":"/>
1320 <param name="pc_mz_list" value=""/>
1321 <param name="level" value="1 2 3"/>
1322 <param name="sort_peaks" value="false"/>
1323 <param name="no_chromatograms" value="false"/>
1324 <param name="remove_chromatograms" value="false"/>
1325 <param name="remove_empty" value="false"/>
1326 <param name="mz_precision" value="64"/>
1327 <param name="int_precision" value="32"/>
1328 <param name="indexed_file" value="true"/>
1329 <param name="zlib_compression" value="false"/>
1330 <section name="numpress">
1331 <param name="masstime" value="none"/>
1332 <param name="lossy_mass_accuracy" value="-1.0"/>
1333 <param name="intensity" value="none"/>
1334 <param name="float_da" value="none"/>
1335 </section>
1336 </section>
1337 <section name="spectra">
1338 <param name="remove_zoom" value="false"/>
1339 <param name="remove_mode"/>
1340 <param name="remove_activation" value="Collision-induced dissociation"/>
1341 <param name="remove_collision_energy" value=":"/>
1342 <param name="remove_isolation_window_width" value=":"/>
1343 <param name="select_zoom" value="false"/>
1344 <param name="select_mode"/>
1345 <param name="select_activation"/>
1346 <param name="select_collision_energy" value=":"/>
1347 <param name="select_isolation_window_width" value=":"/>
1348 <param name="select_polarity"/>
1349 <param name="replace_pc_charge" value=":"/>
1350 <section name="blackorwhitelist">
1351 <param name="similarity_threshold" value="-1.0"/>
1352 <param name="rt" value="0.01"/>
1353 <param name="mz" value="0.01"/>
1354 <param name="use_ppm_tolerance" value="false"/>
1355 <param name="blacklist" value="true"/>
1356 </section>
1357 </section>
1358 <section name="feature">
1359 <param name="q" value=":"/>
1360 </section>
1361 <section name="consensus">
1362 <param name="map" value=""/>
1363 <param name="map_and" value="false"/>
1364 <section name="blackorwhitelist">
1365 <param name="blacklist" value="true"/>
1366 <param name="maps" value=""/>
1367 <param name="rt" value="60.0"/>
1368 <param name="mz" value="0.01"/>
1369 <param name="use_ppm_tolerance" value="false"/>
1370 </section>
1371 </section>
1372 <section name="f_and_c">
1373 <param name="charge" value=":"/>
1374 <param name="size" value=":"/>
1375 <param name="remove_meta" value=""/>
1376 </section>
1377 <section name="id">
1378 <param name="remove_clashes" value="false"/>
1379 <param name="keep_best_score_id" value="false"/>
1380 <param name="sequences_whitelist" value=""/>
1381 <param name="sequence_comparison_method" value="substring"/>
1382 <param name="accessions_whitelist" value=""/>
1383 <param name="remove_annotated_features" value="false"/>
1384 <param name="remove_unannotated_features" value="false"/>
1385 <param name="remove_unassigned_ids" value="false"/>
1386 <param name="rt" value="0.1"/>
1387 <param name="mz" value="0.001"/>
1388 <param name="blacklist_imperfect" value="false"/>
1389 </section>
1390 <section name="algorithm">
1391 <section name="SignalToNoise">
1392 <param name="max_intensity" value="-1"/>
1393 <param name="auto_max_stdev_factor" value="3.0"/>
1394 <param name="auto_max_percentile" value="95"/>
1395 <param name="auto_mode" value="0"/>
1396 <param name="win_len" value="200.0"/>
1397 <param name="bin_count" value="30"/>
1398 <param name="min_required_elements" value="10"/>
1399 <param name="noise_for_empty_window" value="1e+20"/>
1400 <param name="write_log_messages" value="true"/>
1401 </section>
1402 </section>
1403 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
1404 <output name="ctd_out" ftype="xml">
1405 <assert_contents>
1406 <is_valid_xml/>
1407 </assert_contents>
1408 </output>
1409 </test>
1410 <!-- TOPP_FileFilter_11 -->
1411 <test expect_num_outputs="2">
1412 <section name="adv_opts">
1413 <param name="force" value="false"/>
1414 <param name="test" value="true"/>
1415 </section>
1416 <param name="in" value="FileFilter_11_input.mzML"/>
1417 <output name="out" file="FileFilter_11_output.mzML" compare="sim_size" delta_frac="0.7" ftype="mzml"/>
1418 <param name="out_type" value="mzML"/>
1419 <param name="rt" value=":"/>
1420 <param name="mz" value=":"/>
1421 <param name="int" value=":"/>
1422 <param name="sort" value="false"/>
1423 <section name="peak_options">
1424 <param name="sn" value="0.0"/>
1425 <param name="rm_pc_charge" value=""/>
1426 <param name="pc_mz_range" value=":"/>
1427 <param name="pc_mz_list" value=""/>
1428 <param name="level" value="1 2 3"/>
1429 <param name="sort_peaks" value="false"/>
1430 <param name="no_chromatograms" value="false"/>
1431 <param name="remove_chromatograms" value="false"/>
1432 <param name="remove_empty" value="false"/>
1433 <param name="mz_precision" value="64"/>
1434 <param name="int_precision" value="32"/>
1435 <param name="indexed_file" value="true"/>
1436 <param name="zlib_compression" value="false"/>
1437 <section name="numpress">
1438 <param name="masstime" value="none"/>
1439 <param name="lossy_mass_accuracy" value="-1.0"/>
1440 <param name="intensity" value="none"/>
1441 <param name="float_da" value="none"/>
1442 </section>
1443 </section>
1444 <section name="spectra">
1445 <param name="remove_zoom" value="false"/>
1446 <param name="remove_mode"/>
1447 <param name="remove_activation" value="Plasma desorption"/>
1448 <param name="remove_collision_energy" value=":"/>
1449 <param name="remove_isolation_window_width" value=":"/>
1450 <param name="select_zoom" value="false"/>
1451 <param name="select_mode"/>
1452 <param name="select_activation"/>
1453 <param name="select_collision_energy" value=":"/>
1454 <param name="select_isolation_window_width" value=":"/>
1455 <param name="select_polarity"/>
1456 <param name="replace_pc_charge" value=":"/>
1457 <section name="blackorwhitelist">
1458 <param name="similarity_threshold" value="-1.0"/>
1459 <param name="rt" value="0.01"/>
1460 <param name="mz" value="0.01"/>
1461 <param name="use_ppm_tolerance" value="false"/>
1462 <param name="blacklist" value="true"/>
1463 </section>
1464 </section>
1465 <section name="feature">
1466 <param name="q" value=":"/>
1467 </section>
1468 <section name="consensus">
1469 <param name="map" value=""/>
1470 <param name="map_and" value="false"/>
1471 <section name="blackorwhitelist">
1472 <param name="blacklist" value="true"/>
1473 <param name="maps" value=""/>
1474 <param name="rt" value="60.0"/>
1475 <param name="mz" value="0.01"/>
1476 <param name="use_ppm_tolerance" value="false"/>
1477 </section>
1478 </section>
1479 <section name="f_and_c">
1480 <param name="charge" value=":"/>
1481 <param name="size" value=":"/>
1482 <param name="remove_meta" value=""/>
1483 </section>
1484 <section name="id">
1485 <param name="remove_clashes" value="false"/>
1486 <param name="keep_best_score_id" value="false"/>
1487 <param name="sequences_whitelist" value=""/>
1488 <param name="sequence_comparison_method" value="substring"/>
1489 <param name="accessions_whitelist" value=""/>
1490 <param name="remove_annotated_features" value="false"/>
1491 <param name="remove_unannotated_features" value="false"/>
1492 <param name="remove_unassigned_ids" value="false"/>
1493 <param name="rt" value="0.1"/>
1494 <param name="mz" value="0.001"/>
1495 <param name="blacklist_imperfect" value="false"/>
1496 </section>
1497 <section name="algorithm">
1498 <section name="SignalToNoise">
1499 <param name="max_intensity" value="-1"/>
1500 <param name="auto_max_stdev_factor" value="3.0"/>
1501 <param name="auto_max_percentile" value="95"/>
1502 <param name="auto_mode" value="0"/>
1503 <param name="win_len" value="200.0"/>
1504 <param name="bin_count" value="30"/>
1505 <param name="min_required_elements" value="10"/>
1506 <param name="noise_for_empty_window" value="1e+20"/>
1507 <param name="write_log_messages" value="true"/>
1508 </section>
1509 </section>
1510 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
1511 <output name="ctd_out" ftype="xml">
1512 <assert_contents>
1513 <is_valid_xml/>
1514 </assert_contents>
1515 </output>
1516 </test>
1517 <!-- TOPP_FileFilter_12 -->
1518 <test expect_num_outputs="2">
1519 <section name="adv_opts">
1520 <param name="force" value="false"/>
1521 <param name="test" value="true"/>
1522 </section>
1523 <param name="in" value="FileFilter_12_input.mzML"/>
1524 <output name="out" file="FileFilter_12_output.mzML" compare="sim_size" delta_frac="0.7" ftype="mzml"/>
1525 <param name="out_type" value="mzML"/>
1526 <param name="rt" value=":"/>
1527 <param name="mz" value=":"/>
1528 <param name="int" value=":"/>
1529 <param name="sort" value="false"/>
1530 <section name="peak_options">
1531 <param name="sn" value="0.0"/>
1532 <param name="rm_pc_charge" value=""/>
1533 <param name="pc_mz_range" value=":"/>
1534 <param name="pc_mz_list" value=""/>
1535 <param name="level" value="1 2 3"/>
1536 <param name="sort_peaks" value="false"/>
1537 <param name="no_chromatograms" value="false"/>
1538 <param name="remove_chromatograms" value="true"/>
1539 <param name="remove_empty" value="false"/>
1540 <param name="mz_precision" value="64"/>
1541 <param name="int_precision" value="32"/>
1542 <param name="indexed_file" value="true"/>
1543 <param name="zlib_compression" value="false"/>
1544 <section name="numpress">
1545 <param name="masstime" value="none"/>
1546 <param name="lossy_mass_accuracy" value="-1.0"/>
1547 <param name="intensity" value="none"/>
1548 <param name="float_da" value="none"/>
1549 </section>
1550 </section>
1551 <section name="spectra">
1552 <param name="remove_zoom" value="false"/>
1553 <param name="remove_mode"/>
1554 <param name="remove_activation"/>
1555 <param name="remove_collision_energy" value=":"/>
1556 <param name="remove_isolation_window_width" value=":"/>
1557 <param name="select_zoom" value="false"/>
1558 <param name="select_mode"/>
1559 <param name="select_activation"/>
1560 <param name="select_collision_energy" value=":"/>
1561 <param name="select_isolation_window_width" value=":"/>
1562 <param name="select_polarity"/>
1563 <param name="replace_pc_charge" value=":"/>
1564 <section name="blackorwhitelist">
1565 <param name="similarity_threshold" value="-1.0"/>
1566 <param name="rt" value="0.01"/>
1567 <param name="mz" value="0.01"/>
1568 <param name="use_ppm_tolerance" value="false"/>
1569 <param name="blacklist" value="true"/>
1570 </section>
1571 </section>
1572 <section name="feature">
1573 <param name="q" value=":"/>
1574 </section>
1575 <section name="consensus">
1576 <param name="map" value=""/>
1577 <param name="map_and" value="false"/>
1578 <section name="blackorwhitelist">
1579 <param name="blacklist" value="true"/>
1580 <param name="maps" value=""/>
1581 <param name="rt" value="60.0"/>
1582 <param name="mz" value="0.01"/>
1583 <param name="use_ppm_tolerance" value="false"/>
1584 </section>
1585 </section>
1586 <section name="f_and_c">
1587 <param name="charge" value=":"/>
1588 <param name="size" value=":"/>
1589 <param name="remove_meta" value=""/>
1590 </section>
1591 <section name="id">
1592 <param name="remove_clashes" value="false"/>
1593 <param name="keep_best_score_id" value="false"/>
1594 <param name="sequences_whitelist" value=""/>
1595 <param name="sequence_comparison_method" value="substring"/>
1596 <param name="accessions_whitelist" value=""/>
1597 <param name="remove_annotated_features" value="false"/>
1598 <param name="remove_unannotated_features" value="false"/>
1599 <param name="remove_unassigned_ids" value="false"/>
1600 <param name="rt" value="0.1"/>
1601 <param name="mz" value="0.001"/>
1602 <param name="blacklist_imperfect" value="false"/>
1603 </section>
1604 <section name="algorithm">
1605 <section name="SignalToNoise">
1606 <param name="max_intensity" value="-1"/>
1607 <param name="auto_max_stdev_factor" value="3.0"/>
1608 <param name="auto_max_percentile" value="95"/>
1609 <param name="auto_mode" value="0"/>
1610 <param name="win_len" value="200.0"/>
1611 <param name="bin_count" value="30"/>
1612 <param name="min_required_elements" value="10"/>
1613 <param name="noise_for_empty_window" value="1e+20"/>
1614 <param name="write_log_messages" value="true"/>
1615 </section>
1616 </section>
1617 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
1618 <output name="ctd_out" ftype="xml">
1619 <assert_contents>
1620 <is_valid_xml/>
1621 </assert_contents>
1622 </output>
1623 </test>
1624 <!-- TOPP_FileFilter_13 -->
1625 <test expect_num_outputs="2">
1626 <section name="adv_opts">
1627 <param name="force" value="false"/>
1628 <param name="test" value="true"/>
1629 </section>
1630 <param name="in" value="FileFilter_13_input.consensusXML"/>
1631 <output name="out" file="FileFilter_13_output.featureXML" compare="sim_size" delta_frac="0.7" ftype="featurexml"/>
1632 <param name="out_type" value="featureXML"/>
1633 <param name="rt" value=":"/>
1634 <param name="mz" value=":"/>
1635 <param name="int" value=":"/>
1636 <param name="sort" value="false"/>
1637 <section name="peak_options">
1638 <param name="sn" value="0.0"/>
1639 <param name="rm_pc_charge" value=""/>
1640 <param name="pc_mz_range" value=":"/>
1641 <param name="pc_mz_list" value=""/>
1642 <param name="level" value="1 2 3"/>
1643 <param name="sort_peaks" value="false"/>
1644 <param name="no_chromatograms" value="false"/>
1645 <param name="remove_chromatograms" value="false"/>
1646 <param name="remove_empty" value="false"/>
1647 <param name="mz_precision" value="64"/>
1648 <param name="int_precision" value="32"/>
1649 <param name="indexed_file" value="true"/>
1650 <param name="zlib_compression" value="false"/>
1651 <section name="numpress">
1652 <param name="masstime" value="none"/>
1653 <param name="lossy_mass_accuracy" value="-1.0"/>
1654 <param name="intensity" value="none"/>
1655 <param name="float_da" value="none"/>
1656 </section>
1657 </section>
1658 <section name="spectra">
1659 <param name="remove_zoom" value="false"/>
1660 <param name="remove_mode"/>
1661 <param name="remove_activation"/>
1662 <param name="remove_collision_energy" value=":"/>
1663 <param name="remove_isolation_window_width" value=":"/>
1664 <param name="select_zoom" value="false"/>
1665 <param name="select_mode"/>
1666 <param name="select_activation"/>
1667 <param name="select_collision_energy" value=":"/>
1668 <param name="select_isolation_window_width" value=":"/>
1669 <param name="select_polarity"/>
1670 <param name="replace_pc_charge" value=":"/>
1671 <section name="blackorwhitelist">
1672 <param name="similarity_threshold" value="-1.0"/>
1673 <param name="rt" value="0.01"/>
1674 <param name="mz" value="0.01"/>
1675 <param name="use_ppm_tolerance" value="false"/>
1676 <param name="blacklist" value="true"/>
1677 </section>
1678 </section>
1679 <section name="feature">
1680 <param name="q" value=":"/>
1681 </section>
1682 <section name="consensus">
1683 <param name="map" value="2"/>
1684 <param name="map_and" value="false"/>
1685 <section name="blackorwhitelist">
1686 <param name="blacklist" value="true"/>
1687 <param name="maps" value=""/>
1688 <param name="rt" value="60.0"/>
1689 <param name="mz" value="0.01"/>
1690 <param name="use_ppm_tolerance" value="false"/>
1691 </section>
1692 </section>
1693 <section name="f_and_c">
1694 <param name="charge" value=":"/>
1695 <param name="size" value=":"/>
1696 <param name="remove_meta" value=""/>
1697 </section>
1698 <section name="id">
1699 <param name="remove_clashes" value="false"/>
1700 <param name="keep_best_score_id" value="false"/>
1701 <param name="sequences_whitelist" value=""/>
1702 <param name="sequence_comparison_method" value="substring"/>
1703 <param name="accessions_whitelist" value=""/>
1704 <param name="remove_annotated_features" value="false"/>
1705 <param name="remove_unannotated_features" value="false"/>
1706 <param name="remove_unassigned_ids" value="false"/>
1707 <param name="rt" value="0.1"/>
1708 <param name="mz" value="0.001"/>
1709 <param name="blacklist_imperfect" value="false"/>
1710 </section>
1711 <section name="algorithm">
1712 <section name="SignalToNoise">
1713 <param name="max_intensity" value="-1"/>
1714 <param name="auto_max_stdev_factor" value="3.0"/>
1715 <param name="auto_max_percentile" value="95"/>
1716 <param name="auto_mode" value="0"/>
1717 <param name="win_len" value="200.0"/>
1718 <param name="bin_count" value="30"/>
1719 <param name="min_required_elements" value="10"/>
1720 <param name="noise_for_empty_window" value="1e+20"/>
1721 <param name="write_log_messages" value="true"/>
1722 </section>
1723 </section>
1724 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
1725 <output name="ctd_out" ftype="xml">
1726 <assert_contents>
1727 <is_valid_xml/>
1728 </assert_contents>
1729 </output>
1730 </test>
1731 <!-- TOPP_FileFilter_14 -->
1732 <test expect_num_outputs="2">
1733 <section name="adv_opts">
1734 <param name="force" value="false"/>
1735 <param name="test" value="true"/>
1736 </section>
1737 <param name="in" value="FileFilter_14_input.consensusXML"/>
1738 <output name="out" file="FileFilter_14_output.consensusXML" compare="sim_size" delta_frac="0.7" ftype="consensusxml"/>
1739 <param name="out_type" value="consensusXML"/>
1740 <param name="rt" value=":"/>
1741 <param name="mz" value=":"/>
1742 <param name="int" value=":"/>
1743 <param name="sort" value="false"/>
1744 <section name="peak_options">
1745 <param name="sn" value="0.0"/>
1746 <param name="rm_pc_charge" value=""/>
1747 <param name="pc_mz_range" value=":"/>
1748 <param name="pc_mz_list" value=""/>
1749 <param name="level" value="1 2 3"/>
1750 <param name="sort_peaks" value="false"/>
1751 <param name="no_chromatograms" value="false"/>
1752 <param name="remove_chromatograms" value="false"/>
1753 <param name="remove_empty" value="false"/>
1754 <param name="mz_precision" value="64"/>
1755 <param name="int_precision" value="32"/>
1756 <param name="indexed_file" value="true"/>
1757 <param name="zlib_compression" value="false"/>
1758 <section name="numpress">
1759 <param name="masstime" value="none"/>
1760 <param name="lossy_mass_accuracy" value="-1.0"/>
1761 <param name="intensity" value="none"/>
1762 <param name="float_da" value="none"/>
1763 </section>
1764 </section>
1765 <section name="spectra">
1766 <param name="remove_zoom" value="false"/>
1767 <param name="remove_mode"/>
1768 <param name="remove_activation"/>
1769 <param name="remove_collision_energy" value=":"/>
1770 <param name="remove_isolation_window_width" value=":"/>
1771 <param name="select_zoom" value="false"/>
1772 <param name="select_mode"/>
1773 <param name="select_activation"/>
1774 <param name="select_collision_energy" value=":"/>
1775 <param name="select_isolation_window_width" value=":"/>
1776 <param name="select_polarity"/>
1777 <param name="replace_pc_charge" value=":"/>
1778 <section name="blackorwhitelist">
1779 <param name="similarity_threshold" value="-1.0"/>
1780 <param name="rt" value="0.01"/>
1781 <param name="mz" value="0.01"/>
1782 <param name="use_ppm_tolerance" value="false"/>
1783 <param name="blacklist" value="true"/>
1784 </section>
1785 </section>
1786 <section name="feature">
1787 <param name="q" value=":"/>
1788 </section>
1789 <section name="consensus">
1790 <param name="map" value="0 2"/>
1791 <param name="map_and" value="false"/>
1792 <section name="blackorwhitelist">
1793 <param name="blacklist" value="true"/>
1794 <param name="maps" value=""/>
1795 <param name="rt" value="60.0"/>
1796 <param name="mz" value="0.01"/>
1797 <param name="use_ppm_tolerance" value="false"/>
1798 </section>
1799 </section>
1800 <section name="f_and_c">
1801 <param name="charge" value=":"/>
1802 <param name="size" value=":"/>
1803 <param name="remove_meta" value=""/>
1804 </section>
1805 <section name="id">
1806 <param name="remove_clashes" value="false"/>
1807 <param name="keep_best_score_id" value="false"/>
1808 <param name="sequences_whitelist" value=""/>
1809 <param name="sequence_comparison_method" value="substring"/>
1810 <param name="accessions_whitelist" value=""/>
1811 <param name="remove_annotated_features" value="false"/>
1812 <param name="remove_unannotated_features" value="false"/>
1813 <param name="remove_unassigned_ids" value="false"/>
1814 <param name="rt" value="0.1"/>
1815 <param name="mz" value="0.001"/>
1816 <param name="blacklist_imperfect" value="false"/>
1817 </section>
1818 <section name="algorithm">
1819 <section name="SignalToNoise">
1820 <param name="max_intensity" value="-1"/>
1821 <param name="auto_max_stdev_factor" value="3.0"/>
1822 <param name="auto_max_percentile" value="95"/>
1823 <param name="auto_mode" value="0"/>
1824 <param name="win_len" value="200.0"/>
1825 <param name="bin_count" value="30"/>
1826 <param name="min_required_elements" value="10"/>
1827 <param name="noise_for_empty_window" value="1e+20"/>
1828 <param name="write_log_messages" value="true"/>
1829 </section>
1830 </section>
1831 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
1832 <output name="ctd_out" ftype="xml">
1833 <assert_contents>
1834 <is_valid_xml/>
1835 </assert_contents>
1836 </output>
1837 </test>
1838 <!-- TOPP_FileFilter_15 -->
1839 <test expect_num_outputs="2">
1840 <section name="adv_opts">
1841 <param name="force" value="false"/>
1842 <param name="test" value="true"/>
1843 </section>
1844 <param name="in" value="FileFilter_15_input.featureXML"/>
1845 <output name="out" file="FileFilter_15_output.featureXML" compare="sim_size" delta_frac="0.7" ftype="featurexml"/>
1846 <param name="out_type" value="featureXML"/>
1847 <param name="rt" value=":"/>
1848 <param name="mz" value=":"/>
1849 <param name="int" value=":"/>
1850 <param name="sort" value="false"/>
1851 <section name="peak_options">
1852 <param name="sn" value="0.0"/>
1853 <param name="rm_pc_charge" value=""/>
1854 <param name="pc_mz_range" value=":"/>
1855 <param name="pc_mz_list" value=""/>
1856 <param name="level" value="1 2 3"/>
1857 <param name="sort_peaks" value="false"/>
1858 <param name="no_chromatograms" value="false"/>
1859 <param name="remove_chromatograms" value="false"/>
1860 <param name="remove_empty" value="false"/>
1861 <param name="mz_precision" value="64"/>
1862 <param name="int_precision" value="32"/>
1863 <param name="indexed_file" value="true"/>
1864 <param name="zlib_compression" value="false"/>
1865 <section name="numpress">
1866 <param name="masstime" value="none"/>
1867 <param name="lossy_mass_accuracy" value="-1.0"/>
1868 <param name="intensity" value="none"/>
1869 <param name="float_da" value="none"/>
1870 </section>
1871 </section>
1872 <section name="spectra">
1873 <param name="remove_zoom" value="false"/>
1874 <param name="remove_mode"/>
1875 <param name="remove_activation"/>
1876 <param name="remove_collision_energy" value=":"/>
1877 <param name="remove_isolation_window_width" value=":"/>
1878 <param name="select_zoom" value="false"/>
1879 <param name="select_mode"/>
1880 <param name="select_activation"/>
1881 <param name="select_collision_energy" value=":"/>
1882 <param name="select_isolation_window_width" value=":"/>
1883 <param name="select_polarity"/>
1884 <param name="replace_pc_charge" value=":"/>
1885 <section name="blackorwhitelist">
1886 <param name="similarity_threshold" value="-1.0"/>
1887 <param name="rt" value="0.01"/>
1888 <param name="mz" value="0.01"/>
1889 <param name="use_ppm_tolerance" value="false"/>
1890 <param name="blacklist" value="true"/>
1891 </section>
1892 </section>
1893 <section name="feature">
1894 <param name="q" value=":"/>
1895 </section>
1896 <section name="consensus">
1897 <param name="map" value=""/>
1898 <param name="map_and" value="false"/>
1899 <section name="blackorwhitelist">
1900 <param name="blacklist" value="true"/>
1901 <param name="maps" value=""/>
1902 <param name="rt" value="60.0"/>
1903 <param name="mz" value="0.01"/>
1904 <param name="use_ppm_tolerance" value="false"/>
1905 </section>
1906 </section>
1907 <section name="f_and_c">
1908 <param name="charge" value=":"/>
1909 <param name="size" value=":"/>
1910 <param name="remove_meta" value=""/>
1911 </section>
1912 <section name="id">
1913 <param name="remove_clashes" value="false"/>
1914 <param name="keep_best_score_id" value="false"/>
1915 <param name="sequences_whitelist" value="&quot;Oxidation&quot;"/>
1916 <param name="sequence_comparison_method" value="substring"/>
1917 <param name="accessions_whitelist" value=""/>
1918 <param name="remove_annotated_features" value="false"/>
1919 <param name="remove_unannotated_features" value="false"/>
1920 <param name="remove_unassigned_ids" value="true"/>
1921 <param name="rt" value="0.1"/>
1922 <param name="mz" value="0.001"/>
1923 <param name="blacklist_imperfect" value="false"/>
1924 </section>
1925 <section name="algorithm">
1926 <section name="SignalToNoise">
1927 <param name="max_intensity" value="-1"/>
1928 <param name="auto_max_stdev_factor" value="3.0"/>
1929 <param name="auto_max_percentile" value="95"/>
1930 <param name="auto_mode" value="0"/>
1931 <param name="win_len" value="200.0"/>
1932 <param name="bin_count" value="30"/>
1933 <param name="min_required_elements" value="10"/>
1934 <param name="noise_for_empty_window" value="1e+20"/>
1935 <param name="write_log_messages" value="true"/>
1936 </section>
1937 </section>
1938 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
1939 <output name="ctd_out" ftype="xml">
1940 <assert_contents>
1941 <is_valid_xml/>
1942 </assert_contents>
1943 </output>
1944 </test>
1945 <!-- TOPP_FileFilter_16 -->
1946 <test expect_num_outputs="2">
1947 <section name="adv_opts">
1948 <param name="force" value="false"/>
1949 <param name="test" value="true"/>
1950 </section>
1951 <param name="in" value="FileFilter_15_input.featureXML"/>
1952 <output name="out" file="FileFilter_16_output.featureXML" compare="sim_size" delta_frac="0.7" ftype="featurexml"/>
1953 <param name="out_type" value="featureXML"/>
1954 <param name="rt" value="3000:4000"/>
1955 <param name="mz" value="400:600"/>
1956 <param name="int" value=":"/>
1957 <param name="sort" value="false"/>
1958 <section name="peak_options">
1959 <param name="sn" value="0.0"/>
1960 <param name="rm_pc_charge" value=""/>
1961 <param name="pc_mz_range" value=":"/>
1962 <param name="pc_mz_list" value=""/>
1963 <param name="level" value="1 2 3"/>
1964 <param name="sort_peaks" value="false"/>
1965 <param name="no_chromatograms" value="false"/>
1966 <param name="remove_chromatograms" value="false"/>
1967 <param name="remove_empty" value="false"/>
1968 <param name="mz_precision" value="64"/>
1969 <param name="int_precision" value="32"/>
1970 <param name="indexed_file" value="true"/>
1971 <param name="zlib_compression" value="false"/>
1972 <section name="numpress">
1973 <param name="masstime" value="none"/>
1974 <param name="lossy_mass_accuracy" value="-1.0"/>
1975 <param name="intensity" value="none"/>
1976 <param name="float_da" value="none"/>
1977 </section>
1978 </section>
1979 <section name="spectra">
1980 <param name="remove_zoom" value="false"/>
1981 <param name="remove_mode"/>
1982 <param name="remove_activation"/>
1983 <param name="remove_collision_energy" value=":"/>
1984 <param name="remove_isolation_window_width" value=":"/>
1985 <param name="select_zoom" value="false"/>
1986 <param name="select_mode"/>
1987 <param name="select_activation"/>
1988 <param name="select_collision_energy" value=":"/>
1989 <param name="select_isolation_window_width" value=":"/>
1990 <param name="select_polarity"/>
1991 <param name="replace_pc_charge" value=":"/>
1992 <section name="blackorwhitelist">
1993 <param name="similarity_threshold" value="-1.0"/>
1994 <param name="rt" value="0.01"/>
1995 <param name="mz" value="0.01"/>
1996 <param name="use_ppm_tolerance" value="false"/>
1997 <param name="blacklist" value="true"/>
1998 </section>
1999 </section>
2000 <section name="feature">
2001 <param name="q" value=":"/>
2002 </section>
2003 <section name="consensus">
2004 <param name="map" value=""/>
2005 <param name="map_and" value="false"/>
2006 <section name="blackorwhitelist">
2007 <param name="blacklist" value="true"/>
2008 <param name="maps" value=""/>
2009 <param name="rt" value="60.0"/>
2010 <param name="mz" value="0.01"/>
2011 <param name="use_ppm_tolerance" value="false"/>
2012 </section>
2013 </section>
2014 <section name="f_and_c">
2015 <param name="charge" value=":"/>
2016 <param name="size" value=":"/>
2017 <param name="remove_meta" value=""/>
2018 </section>
2019 <section name="id">
2020 <param name="remove_clashes" value="false"/>
2021 <param name="keep_best_score_id" value="false"/>
2022 <param name="sequences_whitelist" value="&quot;Oxidation&quot;"/>
2023 <param name="sequence_comparison_method" value="substring"/>
2024 <param name="accessions_whitelist" value=""/>
2025 <param name="remove_annotated_features" value="false"/>
2026 <param name="remove_unannotated_features" value="false"/>
2027 <param name="remove_unassigned_ids" value="true"/>
2028 <param name="rt" value="0.1"/>
2029 <param name="mz" value="0.001"/>
2030 <param name="blacklist_imperfect" value="false"/>
2031 </section>
2032 <section name="algorithm">
2033 <section name="SignalToNoise">
2034 <param name="max_intensity" value="-1"/>
2035 <param name="auto_max_stdev_factor" value="3.0"/>
2036 <param name="auto_max_percentile" value="95"/>
2037 <param name="auto_mode" value="0"/>
2038 <param name="win_len" value="200.0"/>
2039 <param name="bin_count" value="30"/>
2040 <param name="min_required_elements" value="10"/>
2041 <param name="noise_for_empty_window" value="1e+20"/>
2042 <param name="write_log_messages" value="true"/>
2043 </section>
2044 </section>
2045 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
2046 <output name="ctd_out" ftype="xml">
2047 <assert_contents>
2048 <is_valid_xml/>
2049 </assert_contents>
2050 </output>
2051 </test>
2052 <!-- TOPP_FileFilter_17 -->
2053 <test expect_num_outputs="2">
2054 <section name="adv_opts">
2055 <param name="force" value="false"/>
2056 <param name="test" value="true"/>
2057 </section>
2058 <param name="in" value="FileFilter_15_input.featureXML"/>
2059 <output name="out" file="FileFilter_17_output.featureXML" compare="sim_size" delta_frac="0.7" ftype="featurexml"/>
2060 <param name="out_type" value="featureXML"/>
2061 <param name="rt" value="3000:4000"/>
2062 <param name="mz" value="400:600"/>
2063 <param name="int" value=":"/>
2064 <param name="sort" value="false"/>
2065 <section name="peak_options">
2066 <param name="sn" value="0.0"/>
2067 <param name="rm_pc_charge" value=""/>
2068 <param name="pc_mz_range" value=":"/>
2069 <param name="pc_mz_list" value=""/>
2070 <param name="level" value="1 2 3"/>
2071 <param name="sort_peaks" value="false"/>
2072 <param name="no_chromatograms" value="false"/>
2073 <param name="remove_chromatograms" value="false"/>
2074 <param name="remove_empty" value="false"/>
2075 <param name="mz_precision" value="64"/>
2076 <param name="int_precision" value="32"/>
2077 <param name="indexed_file" value="true"/>
2078 <param name="zlib_compression" value="false"/>
2079 <section name="numpress">
2080 <param name="masstime" value="none"/>
2081 <param name="lossy_mass_accuracy" value="-1.0"/>
2082 <param name="intensity" value="none"/>
2083 <param name="float_da" value="none"/>
2084 </section>
2085 </section>
2086 <section name="spectra">
2087 <param name="remove_zoom" value="false"/>
2088 <param name="remove_mode"/>
2089 <param name="remove_activation"/>
2090 <param name="remove_collision_energy" value=":"/>
2091 <param name="remove_isolation_window_width" value=":"/>
2092 <param name="select_zoom" value="false"/>
2093 <param name="select_mode"/>
2094 <param name="select_activation"/>
2095 <param name="select_collision_energy" value=":"/>
2096 <param name="select_isolation_window_width" value=":"/>
2097 <param name="select_polarity"/>
2098 <param name="replace_pc_charge" value=":"/>
2099 <section name="blackorwhitelist">
2100 <param name="similarity_threshold" value="-1.0"/>
2101 <param name="rt" value="0.01"/>
2102 <param name="mz" value="0.01"/>
2103 <param name="use_ppm_tolerance" value="false"/>
2104 <param name="blacklist" value="true"/>
2105 </section>
2106 </section>
2107 <section name="feature">
2108 <param name="q" value=":"/>
2109 </section>
2110 <section name="consensus">
2111 <param name="map" value=""/>
2112 <param name="map_and" value="false"/>
2113 <section name="blackorwhitelist">
2114 <param name="blacklist" value="true"/>
2115 <param name="maps" value=""/>
2116 <param name="rt" value="60.0"/>
2117 <param name="mz" value="0.01"/>
2118 <param name="use_ppm_tolerance" value="false"/>
2119 </section>
2120 </section>
2121 <section name="f_and_c">
2122 <param name="charge" value=":"/>
2123 <param name="size" value=":"/>
2124 <param name="remove_meta" value=""/>
2125 </section>
2126 <section name="id">
2127 <param name="remove_clashes" value="false"/>
2128 <param name="keep_best_score_id" value="false"/>
2129 <param name="sequences_whitelist" value=""/>
2130 <param name="sequence_comparison_method" value="substring"/>
2131 <param name="accessions_whitelist" value=""/>
2132 <param name="remove_annotated_features" value="true"/>
2133 <param name="remove_unannotated_features" value="false"/>
2134 <param name="remove_unassigned_ids" value="false"/>
2135 <param name="rt" value="0.1"/>
2136 <param name="mz" value="0.001"/>
2137 <param name="blacklist_imperfect" value="false"/>
2138 </section>
2139 <section name="algorithm">
2140 <section name="SignalToNoise">
2141 <param name="max_intensity" value="-1"/>
2142 <param name="auto_max_stdev_factor" value="3.0"/>
2143 <param name="auto_max_percentile" value="95"/>
2144 <param name="auto_mode" value="0"/>
2145 <param name="win_len" value="200.0"/>
2146 <param name="bin_count" value="30"/>
2147 <param name="min_required_elements" value="10"/>
2148 <param name="noise_for_empty_window" value="1e+20"/>
2149 <param name="write_log_messages" value="true"/>
2150 </section>
2151 </section>
2152 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
2153 <output name="ctd_out" ftype="xml">
2154 <assert_contents>
2155 <is_valid_xml/>
2156 </assert_contents>
2157 </output>
2158 </test>
2159 <!-- TOPP_FileFilter_18 -->
2160 <test expect_num_outputs="2">
2161 <section name="adv_opts">
2162 <param name="force" value="false"/>
2163 <param name="test" value="true"/>
2164 </section>
2165 <param name="in" value="FileFilter_18_input.consensusXML"/>
2166 <output name="out" file="FileFilter_18_output.consensusXML" compare="sim_size" delta_frac="0.7" ftype="consensusxml"/>
2167 <param name="out_type" value="consensusXML"/>
2168 <param name="rt" value=":"/>
2169 <param name="mz" value=":"/>
2170 <param name="int" value=":"/>
2171 <param name="sort" value="false"/>
2172 <section name="peak_options">
2173 <param name="sn" value="0.0"/>
2174 <param name="rm_pc_charge" value=""/>
2175 <param name="pc_mz_range" value=":"/>
2176 <param name="pc_mz_list" value=""/>
2177 <param name="level" value="1 2 3"/>
2178 <param name="sort_peaks" value="false"/>
2179 <param name="no_chromatograms" value="false"/>
2180 <param name="remove_chromatograms" value="false"/>
2181 <param name="remove_empty" value="false"/>
2182 <param name="mz_precision" value="64"/>
2183 <param name="int_precision" value="32"/>
2184 <param name="indexed_file" value="true"/>
2185 <param name="zlib_compression" value="false"/>
2186 <section name="numpress">
2187 <param name="masstime" value="none"/>
2188 <param name="lossy_mass_accuracy" value="-1.0"/>
2189 <param name="intensity" value="none"/>
2190 <param name="float_da" value="none"/>
2191 </section>
2192 </section>
2193 <section name="spectra">
2194 <param name="remove_zoom" value="false"/>
2195 <param name="remove_mode"/>
2196 <param name="remove_activation"/>
2197 <param name="remove_collision_energy" value=":"/>
2198 <param name="remove_isolation_window_width" value=":"/>
2199 <param name="select_zoom" value="false"/>
2200 <param name="select_mode"/>
2201 <param name="select_activation"/>
2202 <param name="select_collision_energy" value=":"/>
2203 <param name="select_isolation_window_width" value=":"/>
2204 <param name="select_polarity"/>
2205 <param name="replace_pc_charge" value=":"/>
2206 <section name="blackorwhitelist">
2207 <param name="similarity_threshold" value="-1.0"/>
2208 <param name="rt" value="0.01"/>
2209 <param name="mz" value="0.01"/>
2210 <param name="use_ppm_tolerance" value="false"/>
2211 <param name="blacklist" value="true"/>
2212 </section>
2213 </section>
2214 <section name="feature">
2215 <param name="q" value=":"/>
2216 </section>
2217 <section name="consensus">
2218 <param name="map" value=""/>
2219 <param name="map_and" value="false"/>
2220 <section name="blackorwhitelist">
2221 <param name="blacklist" value="true"/>
2222 <param name="maps" value=""/>
2223 <param name="rt" value="60.0"/>
2224 <param name="mz" value="0.01"/>
2225 <param name="use_ppm_tolerance" value="false"/>
2226 </section>
2227 </section>
2228 <section name="f_and_c">
2229 <param name="charge" value=":"/>
2230 <param name="size" value=":"/>
2231 <param name="remove_meta" value=""/>
2232 </section>
2233 <section name="id">
2234 <param name="remove_clashes" value="false"/>
2235 <param name="keep_best_score_id" value="false"/>
2236 <param name="sequences_whitelist" value="&quot;Oxidation&quot;"/>
2237 <param name="sequence_comparison_method" value="substring"/>
2238 <param name="accessions_whitelist" value=""/>
2239 <param name="remove_annotated_features" value="false"/>
2240 <param name="remove_unannotated_features" value="false"/>
2241 <param name="remove_unassigned_ids" value="true"/>
2242 <param name="rt" value="0.1"/>
2243 <param name="mz" value="0.001"/>
2244 <param name="blacklist_imperfect" value="false"/>
2245 </section>
2246 <section name="algorithm">
2247 <section name="SignalToNoise">
2248 <param name="max_intensity" value="-1"/>
2249 <param name="auto_max_stdev_factor" value="3.0"/>
2250 <param name="auto_max_percentile" value="95"/>
2251 <param name="auto_mode" value="0"/>
2252 <param name="win_len" value="200.0"/>
2253 <param name="bin_count" value="30"/>
2254 <param name="min_required_elements" value="10"/>
2255 <param name="noise_for_empty_window" value="1e+20"/>
2256 <param name="write_log_messages" value="true"/>
2257 </section>
2258 </section>
2259 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
2260 <output name="ctd_out" ftype="xml">
2261 <assert_contents>
2262 <is_valid_xml/>
2263 </assert_contents>
2264 </output>
2265 </test>
2266 <!-- TOPP_FileFilter_19 -->
2267 <test expect_num_outputs="2">
2268 <section name="adv_opts">
2269 <param name="force" value="false"/>
2270 <param name="test" value="true"/>
2271 </section>
2272 <param name="in" value="FileFilter_18_input.consensusXML"/>
2273 <output name="out" file="FileFilter_19_output.consensusXML" compare="sim_size" delta_frac="0.7" ftype="consensusxml"/>
2274 <param name="out_type" value="consensusXML"/>
2275 <param name="rt" value="3000:4000"/>
2276 <param name="mz" value="400:600"/>
2277 <param name="int" value=":"/>
2278 <param name="sort" value="false"/>
2279 <section name="peak_options">
2280 <param name="sn" value="0.0"/>
2281 <param name="rm_pc_charge" value=""/>
2282 <param name="pc_mz_range" value=":"/>
2283 <param name="pc_mz_list" value=""/>
2284 <param name="level" value="1 2 3"/>
2285 <param name="sort_peaks" value="false"/>
2286 <param name="no_chromatograms" value="false"/>
2287 <param name="remove_chromatograms" value="false"/>
2288 <param name="remove_empty" value="false"/>
2289 <param name="mz_precision" value="64"/>
2290 <param name="int_precision" value="32"/>
2291 <param name="indexed_file" value="true"/>
2292 <param name="zlib_compression" value="false"/>
2293 <section name="numpress">
2294 <param name="masstime" value="none"/>
2295 <param name="lossy_mass_accuracy" value="-1.0"/>
2296 <param name="intensity" value="none"/>
2297 <param name="float_da" value="none"/>
2298 </section>
2299 </section>
2300 <section name="spectra">
2301 <param name="remove_zoom" value="false"/>
2302 <param name="remove_mode"/>
2303 <param name="remove_activation"/>
2304 <param name="remove_collision_energy" value=":"/>
2305 <param name="remove_isolation_window_width" value=":"/>
2306 <param name="select_zoom" value="false"/>
2307 <param name="select_mode"/>
2308 <param name="select_activation"/>
2309 <param name="select_collision_energy" value=":"/>
2310 <param name="select_isolation_window_width" value=":"/>
2311 <param name="select_polarity"/>
2312 <param name="replace_pc_charge" value=":"/>
2313 <section name="blackorwhitelist">
2314 <param name="similarity_threshold" value="-1.0"/>
2315 <param name="rt" value="0.01"/>
2316 <param name="mz" value="0.01"/>
2317 <param name="use_ppm_tolerance" value="false"/>
2318 <param name="blacklist" value="true"/>
2319 </section>
2320 </section>
2321 <section name="feature">
2322 <param name="q" value=":"/>
2323 </section>
2324 <section name="consensus">
2325 <param name="map" value=""/>
2326 <param name="map_and" value="false"/>
2327 <section name="blackorwhitelist">
2328 <param name="blacklist" value="true"/>
2329 <param name="maps" value=""/>
2330 <param name="rt" value="60.0"/>
2331 <param name="mz" value="0.01"/>
2332 <param name="use_ppm_tolerance" value="false"/>
2333 </section>
2334 </section>
2335 <section name="f_and_c">
2336 <param name="charge" value=":"/>
2337 <param name="size" value=":"/>
2338 <param name="remove_meta" value=""/>
2339 </section>
2340 <section name="id">
2341 <param name="remove_clashes" value="false"/>
2342 <param name="keep_best_score_id" value="false"/>
2343 <param name="sequences_whitelist" value=""/>
2344 <param name="sequence_comparison_method" value="substring"/>
2345 <param name="accessions_whitelist" value=""/>
2346 <param name="remove_annotated_features" value="false"/>
2347 <param name="remove_unannotated_features" value="true"/>
2348 <param name="remove_unassigned_ids" value="false"/>
2349 <param name="rt" value="0.1"/>
2350 <param name="mz" value="0.001"/>
2351 <param name="blacklist_imperfect" value="false"/>
2352 </section>
2353 <section name="algorithm">
2354 <section name="SignalToNoise">
2355 <param name="max_intensity" value="-1"/>
2356 <param name="auto_max_stdev_factor" value="3.0"/>
2357 <param name="auto_max_percentile" value="95"/>
2358 <param name="auto_mode" value="0"/>
2359 <param name="win_len" value="200.0"/>
2360 <param name="bin_count" value="30"/>
2361 <param name="min_required_elements" value="10"/>
2362 <param name="noise_for_empty_window" value="1e+20"/>
2363 <param name="write_log_messages" value="true"/>
2364 </section>
2365 </section>
2366 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
2367 <output name="ctd_out" ftype="xml">
2368 <assert_contents>
2369 <is_valid_xml/>
2370 </assert_contents>
2371 </output>
2372 </test>
2373 <!-- TOPP_FileFilter_20 -->
2374 <test expect_num_outputs="2">
2375 <section name="adv_opts">
2376 <param name="force" value="false"/>
2377 <param name="test" value="true"/>
2378 </section>
2379 <param name="in" value="FileFilter_15_input.featureXML"/>
2380 <output name="out" file="FileFilter_20_output.featureXML" compare="sim_size" delta_frac="0.7" ftype="featurexml"/>
2381 <param name="out_type" value="featureXML"/>
2382 <param name="rt" value=":"/>
2383 <param name="mz" value=":"/>
2384 <param name="int" value=":"/>
2385 <param name="sort" value="false"/>
2386 <section name="peak_options">
2387 <param name="sn" value="0.0"/>
2388 <param name="rm_pc_charge" value=""/>
2389 <param name="pc_mz_range" value=":"/>
2390 <param name="pc_mz_list" value=""/>
2391 <param name="level" value="1 2 3"/>
2392 <param name="sort_peaks" value="false"/>
2393 <param name="no_chromatograms" value="false"/>
2394 <param name="remove_chromatograms" value="false"/>
2395 <param name="remove_empty" value="false"/>
2396 <param name="mz_precision" value="64"/>
2397 <param name="int_precision" value="32"/>
2398 <param name="indexed_file" value="true"/>
2399 <param name="zlib_compression" value="false"/>
2400 <section name="numpress">
2401 <param name="masstime" value="none"/>
2402 <param name="lossy_mass_accuracy" value="-1.0"/>
2403 <param name="intensity" value="none"/>
2404 <param name="float_da" value="none"/>
2405 </section>
2406 </section>
2407 <section name="spectra">
2408 <param name="remove_zoom" value="false"/>
2409 <param name="remove_mode"/>
2410 <param name="remove_activation"/>
2411 <param name="remove_collision_energy" value=":"/>
2412 <param name="remove_isolation_window_width" value=":"/>
2413 <param name="select_zoom" value="false"/>
2414 <param name="select_mode"/>
2415 <param name="select_activation"/>
2416 <param name="select_collision_energy" value=":"/>
2417 <param name="select_isolation_window_width" value=":"/>
2418 <param name="select_polarity"/>
2419 <param name="replace_pc_charge" value=":"/>
2420 <section name="blackorwhitelist">
2421 <param name="similarity_threshold" value="-1.0"/>
2422 <param name="rt" value="0.01"/>
2423 <param name="mz" value="0.01"/>
2424 <param name="use_ppm_tolerance" value="false"/>
2425 <param name="blacklist" value="true"/>
2426 </section>
2427 </section>
2428 <section name="feature">
2429 <param name="q" value=":"/>
2430 </section>
2431 <section name="consensus">
2432 <param name="map" value=""/>
2433 <param name="map_and" value="false"/>
2434 <section name="blackorwhitelist">
2435 <param name="blacklist" value="true"/>
2436 <param name="maps" value=""/>
2437 <param name="rt" value="60.0"/>
2438 <param name="mz" value="0.01"/>
2439 <param name="use_ppm_tolerance" value="false"/>
2440 </section>
2441 </section>
2442 <section name="f_and_c">
2443 <param name="charge" value=":"/>
2444 <param name="size" value=":"/>
2445 <param name="remove_meta" value=""/>
2446 </section>
2447 <section name="id">
2448 <param name="remove_clashes" value="false"/>
2449 <param name="keep_best_score_id" value="false"/>
2450 <param name="sequences_whitelist" value=""/>
2451 <param name="sequence_comparison_method" value="substring"/>
2452 <param name="accessions_whitelist" value="&quot;YDL217C&quot;"/>
2453 <param name="remove_annotated_features" value="false"/>
2454 <param name="remove_unannotated_features" value="false"/>
2455 <param name="remove_unassigned_ids" value="true"/>
2456 <param name="rt" value="0.1"/>
2457 <param name="mz" value="0.001"/>
2458 <param name="blacklist_imperfect" value="false"/>
2459 </section>
2460 <section name="algorithm">
2461 <section name="SignalToNoise">
2462 <param name="max_intensity" value="-1"/>
2463 <param name="auto_max_stdev_factor" value="3.0"/>
2464 <param name="auto_max_percentile" value="95"/>
2465 <param name="auto_mode" value="0"/>
2466 <param name="win_len" value="200.0"/>
2467 <param name="bin_count" value="30"/>
2468 <param name="min_required_elements" value="10"/>
2469 <param name="noise_for_empty_window" value="1e+20"/>
2470 <param name="write_log_messages" value="true"/>
2471 </section>
2472 </section>
2473 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
2474 <output name="ctd_out" ftype="xml">
2475 <assert_contents>
2476 <is_valid_xml/>
2477 </assert_contents>
2478 </output>
2479 </test>
2480 <!-- TOPP_FileFilter_21 -->
2481 <test expect_num_outputs="2">
2482 <section name="adv_opts">
2483 <param name="force" value="false"/>
2484 <param name="test" value="true"/>
2485 </section>
2486 <param name="in" value="FileFilter_15_input.featureXML"/>
2487 <output name="out" file="FileFilter_21_output.featureXML" compare="sim_size" delta_frac="0.7" ftype="featurexml"/>
2488 <param name="out_type" value="featureXML"/>
2489 <param name="rt" value=":"/>
2490 <param name="mz" value=":"/>
2491 <param name="int" value=":"/>
2492 <param name="sort" value="false"/>
2493 <section name="peak_options">
2494 <param name="sn" value="0.0"/>
2495 <param name="rm_pc_charge" value=""/>
2496 <param name="pc_mz_range" value=":"/>
2497 <param name="pc_mz_list" value=""/>
2498 <param name="level" value="1 2 3"/>
2499 <param name="sort_peaks" value="false"/>
2500 <param name="no_chromatograms" value="false"/>
2501 <param name="remove_chromatograms" value="false"/>
2502 <param name="remove_empty" value="false"/>
2503 <param name="mz_precision" value="64"/>
2504 <param name="int_precision" value="32"/>
2505 <param name="indexed_file" value="true"/>
2506 <param name="zlib_compression" value="false"/>
2507 <section name="numpress">
2508 <param name="masstime" value="none"/>
2509 <param name="lossy_mass_accuracy" value="-1.0"/>
2510 <param name="intensity" value="none"/>
2511 <param name="float_da" value="none"/>
2512 </section>
2513 </section>
2514 <section name="spectra">
2515 <param name="remove_zoom" value="false"/>
2516 <param name="remove_mode"/>
2517 <param name="remove_activation"/>
2518 <param name="remove_collision_energy" value=":"/>
2519 <param name="remove_isolation_window_width" value=":"/>
2520 <param name="select_zoom" value="false"/>
2521 <param name="select_mode"/>
2522 <param name="select_activation"/>
2523 <param name="select_collision_energy" value=":"/>
2524 <param name="select_isolation_window_width" value=":"/>
2525 <param name="select_polarity"/>
2526 <param name="replace_pc_charge" value=":"/>
2527 <section name="blackorwhitelist">
2528 <param name="similarity_threshold" value="-1.0"/>
2529 <param name="rt" value="0.01"/>
2530 <param name="mz" value="0.01"/>
2531 <param name="use_ppm_tolerance" value="false"/>
2532 <param name="blacklist" value="true"/>
2533 </section>
2534 </section>
2535 <section name="feature">
2536 <param name="q" value=":"/>
2537 </section>
2538 <section name="consensus">
2539 <param name="map" value=""/>
2540 <param name="map_and" value="false"/>
2541 <section name="blackorwhitelist">
2542 <param name="blacklist" value="true"/>
2543 <param name="maps" value=""/>
2544 <param name="rt" value="60.0"/>
2545 <param name="mz" value="0.01"/>
2546 <param name="use_ppm_tolerance" value="false"/>
2547 </section>
2548 </section>
2549 <section name="f_and_c">
2550 <param name="charge" value=":"/>
2551 <param name="size" value=":"/>
2552 <param name="remove_meta" value=""/>
2553 </section>
2554 <section name="id">
2555 <param name="remove_clashes" value="false"/>
2556 <param name="keep_best_score_id" value="true"/>
2557 <param name="sequences_whitelist" value=""/>
2558 <param name="sequence_comparison_method" value="substring"/>
2559 <param name="accessions_whitelist" value=""/>
2560 <param name="remove_annotated_features" value="false"/>
2561 <param name="remove_unannotated_features" value="true"/>
2562 <param name="remove_unassigned_ids" value="true"/>
2563 <param name="rt" value="0.1"/>
2564 <param name="mz" value="0.001"/>
2565 <param name="blacklist_imperfect" value="false"/>
2566 </section>
2567 <section name="algorithm">
2568 <section name="SignalToNoise">
2569 <param name="max_intensity" value="-1"/>
2570 <param name="auto_max_stdev_factor" value="3.0"/>
2571 <param name="auto_max_percentile" value="95"/>
2572 <param name="auto_mode" value="0"/>
2573 <param name="win_len" value="200.0"/>
2574 <param name="bin_count" value="30"/>
2575 <param name="min_required_elements" value="10"/>
2576 <param name="noise_for_empty_window" value="1e+20"/>
2577 <param name="write_log_messages" value="true"/>
2578 </section>
2579 </section>
2580 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
2581 <output name="ctd_out" ftype="xml">
2582 <assert_contents>
2583 <is_valid_xml/>
2584 </assert_contents>
2585 </output>
2586 </test>
2587 <!-- TOPP_FileFilter_22 -->
2588 <test expect_num_outputs="2">
2589 <section name="adv_opts">
2590 <param name="force" value="false"/>
2591 <param name="test" value="true"/>
2592 </section>
2593 <param name="in" value="FileFilter_22_input.consensusXML"/>
2594 <output name="out" file="FileFilter_22_output.consensusXML" compare="sim_size" delta_frac="0.7" ftype="consensusxml"/>
2595 <param name="out_type" value="consensusXML"/>
2596 <param name="rt" value=":"/>
2597 <param name="mz" value=":"/>
2598 <param name="int" value=":"/>
2599 <param name="sort" value="false"/>
2600 <section name="peak_options">
2601 <param name="sn" value="0.0"/>
2602 <param name="rm_pc_charge" value=""/>
2603 <param name="pc_mz_range" value=":"/>
2604 <param name="pc_mz_list" value=""/>
2605 <param name="level" value="1 2 3"/>
2606 <param name="sort_peaks" value="false"/>
2607 <param name="no_chromatograms" value="false"/>
2608 <param name="remove_chromatograms" value="false"/>
2609 <param name="remove_empty" value="false"/>
2610 <param name="mz_precision" value="64"/>
2611 <param name="int_precision" value="32"/>
2612 <param name="indexed_file" value="true"/>
2613 <param name="zlib_compression" value="false"/>
2614 <section name="numpress">
2615 <param name="masstime" value="none"/>
2616 <param name="lossy_mass_accuracy" value="-1.0"/>
2617 <param name="intensity" value="none"/>
2618 <param name="float_da" value="none"/>
2619 </section>
2620 </section>
2621 <section name="spectra">
2622 <param name="remove_zoom" value="false"/>
2623 <param name="remove_mode"/>
2624 <param name="remove_activation"/>
2625 <param name="remove_collision_energy" value=":"/>
2626 <param name="remove_isolation_window_width" value=":"/>
2627 <param name="select_zoom" value="false"/>
2628 <param name="select_mode"/>
2629 <param name="select_activation"/>
2630 <param name="select_collision_energy" value=":"/>
2631 <param name="select_isolation_window_width" value=":"/>
2632 <param name="select_polarity"/>
2633 <param name="replace_pc_charge" value=":"/>
2634 <section name="blackorwhitelist">
2635 <param name="similarity_threshold" value="-1.0"/>
2636 <param name="rt" value="0.01"/>
2637 <param name="mz" value="0.01"/>
2638 <param name="use_ppm_tolerance" value="false"/>
2639 <param name="blacklist" value="true"/>
2640 </section>
2641 </section>
2642 <section name="feature">
2643 <param name="q" value=":"/>
2644 </section>
2645 <section name="consensus">
2646 <param name="map" value=""/>
2647 <param name="map_and" value="false"/>
2648 <section name="blackorwhitelist">
2649 <param name="blacklist" value="true"/>
2650 <param name="maps" value=""/>
2651 <param name="rt" value="60.0"/>
2652 <param name="mz" value="0.01"/>
2653 <param name="use_ppm_tolerance" value="false"/>
2654 </section>
2655 </section>
2656 <section name="f_and_c">
2657 <param name="charge" value=":"/>
2658 <param name="size" value=":"/>
2659 <param name="remove_meta" value="&quot;distinct_charges&quot; &quot;gt&quot; &quot;1,2&quot;"/>
2660 </section>
2661 <section name="id">
2662 <param name="remove_clashes" value="false"/>
2663 <param name="keep_best_score_id" value="false"/>
2664 <param name="sequences_whitelist" value=""/>
2665 <param name="sequence_comparison_method" value="substring"/>
2666 <param name="accessions_whitelist" value=""/>
2667 <param name="remove_annotated_features" value="false"/>
2668 <param name="remove_unannotated_features" value="false"/>
2669 <param name="remove_unassigned_ids" value="false"/>
2670 <param name="rt" value="0.1"/>
2671 <param name="mz" value="0.001"/>
2672 <param name="blacklist_imperfect" value="false"/>
2673 </section>
2674 <section name="algorithm">
2675 <section name="SignalToNoise">
2676 <param name="max_intensity" value="-1"/>
2677 <param name="auto_max_stdev_factor" value="3.0"/>
2678 <param name="auto_max_percentile" value="95"/>
2679 <param name="auto_mode" value="0"/>
2680 <param name="win_len" value="200.0"/>
2681 <param name="bin_count" value="30"/>
2682 <param name="min_required_elements" value="10"/>
2683 <param name="noise_for_empty_window" value="1e+20"/>
2684 <param name="write_log_messages" value="true"/>
2685 </section>
2686 </section>
2687 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
2688 <output name="ctd_out" ftype="xml">
2689 <assert_contents>
2690 <is_valid_xml/>
2691 </assert_contents>
2692 </output>
2693 </test>
2694 <!-- TOPP_FileFilter_23 -->
2695 <test expect_num_outputs="2">
2696 <section name="adv_opts">
2697 <param name="force" value="false"/>
2698 <param name="test" value="true"/>
2699 </section>
2700 <param name="in" value="FileFilter_22_input.consensusXML"/>
2701 <output name="out" file="FileFilter_22_output.consensusXML" compare="sim_size" delta_frac="0.7" ftype="consensusxml"/>
2702 <param name="out_type" value="consensusXML"/>
2703 <param name="rt" value=":"/>
2704 <param name="mz" value=":"/>
2705 <param name="int" value=":"/>
2706 <param name="sort" value="false"/>
2707 <section name="peak_options">
2708 <param name="sn" value="0.0"/>
2709 <param name="rm_pc_charge" value=""/>
2710 <param name="pc_mz_range" value=":"/>
2711 <param name="pc_mz_list" value=""/>
2712 <param name="level" value="1 2 3"/>
2713 <param name="sort_peaks" value="false"/>
2714 <param name="no_chromatograms" value="false"/>
2715 <param name="remove_chromatograms" value="false"/>
2716 <param name="remove_empty" value="false"/>
2717 <param name="mz_precision" value="64"/>
2718 <param name="int_precision" value="32"/>
2719 <param name="indexed_file" value="true"/>
2720 <param name="zlib_compression" value="false"/>
2721 <section name="numpress">
2722 <param name="masstime" value="none"/>
2723 <param name="lossy_mass_accuracy" value="-1.0"/>
2724 <param name="intensity" value="none"/>
2725 <param name="float_da" value="none"/>
2726 </section>
2727 </section>
2728 <section name="spectra">
2729 <param name="remove_zoom" value="false"/>
2730 <param name="remove_mode"/>
2731 <param name="remove_activation"/>
2732 <param name="remove_collision_energy" value=":"/>
2733 <param name="remove_isolation_window_width" value=":"/>
2734 <param name="select_zoom" value="false"/>
2735 <param name="select_mode"/>
2736 <param name="select_activation"/>
2737 <param name="select_collision_energy" value=":"/>
2738 <param name="select_isolation_window_width" value=":"/>
2739 <param name="select_polarity"/>
2740 <param name="replace_pc_charge" value=":"/>
2741 <section name="blackorwhitelist">
2742 <param name="similarity_threshold" value="-1.0"/>
2743 <param name="rt" value="0.01"/>
2744 <param name="mz" value="0.01"/>
2745 <param name="use_ppm_tolerance" value="false"/>
2746 <param name="blacklist" value="true"/>
2747 </section>
2748 </section>
2749 <section name="feature">
2750 <param name="q" value=":"/>
2751 </section>
2752 <section name="consensus">
2753 <param name="map" value=""/>
2754 <param name="map_and" value="false"/>
2755 <section name="blackorwhitelist">
2756 <param name="blacklist" value="true"/>
2757 <param name="maps" value=""/>
2758 <param name="rt" value="60.0"/>
2759 <param name="mz" value="0.01"/>
2760 <param name="use_ppm_tolerance" value="false"/>
2761 </section>
2762 </section>
2763 <section name="f_and_c">
2764 <param name="charge" value=":"/>
2765 <param name="size" value=":"/>
2766 <param name="remove_meta" value="&quot;distinct_charges_size&quot; &quot;gt&quot; &quot;2&quot;"/>
2767 </section>
2768 <section name="id">
2769 <param name="remove_clashes" value="false"/>
2770 <param name="keep_best_score_id" value="false"/>
2771 <param name="sequences_whitelist" value=""/>
2772 <param name="sequence_comparison_method" value="substring"/>
2773 <param name="accessions_whitelist" value=""/>
2774 <param name="remove_annotated_features" value="false"/>
2775 <param name="remove_unannotated_features" value="false"/>
2776 <param name="remove_unassigned_ids" value="false"/>
2777 <param name="rt" value="0.1"/>
2778 <param name="mz" value="0.001"/>
2779 <param name="blacklist_imperfect" value="false"/>
2780 </section>
2781 <section name="algorithm">
2782 <section name="SignalToNoise">
2783 <param name="max_intensity" value="-1"/>
2784 <param name="auto_max_stdev_factor" value="3.0"/>
2785 <param name="auto_max_percentile" value="95"/>
2786 <param name="auto_mode" value="0"/>
2787 <param name="win_len" value="200.0"/>
2788 <param name="bin_count" value="30"/>
2789 <param name="min_required_elements" value="10"/>
2790 <param name="noise_for_empty_window" value="1e+20"/>
2791 <param name="write_log_messages" value="true"/>
2792 </section>
2793 </section>
2794 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
2795 <output name="ctd_out" ftype="xml">
2796 <assert_contents>
2797 <is_valid_xml/>
2798 </assert_contents>
2799 </output>
2800 </test>
2801 <!-- TOPP_FileFilter_24 -->
2802 <test expect_num_outputs="2">
2803 <section name="adv_opts">
2804 <param name="force" value="false"/>
2805 <param name="test" value="true"/>
2806 </section>
2807 <param name="in" value="FileFilter_22_input.consensusXML"/>
2808 <output name="out" file="FileFilter_24_output.consensusXML" compare="sim_size" delta_frac="0.7" ftype="consensusxml"/>
2809 <param name="out_type" value="consensusXML"/>
2810 <param name="rt" value=":"/>
2811 <param name="mz" value=":"/>
2812 <param name="int" value=":"/>
2813 <param name="sort" value="false"/>
2814 <section name="peak_options">
2815 <param name="sn" value="0.0"/>
2816 <param name="rm_pc_charge" value=""/>
2817 <param name="pc_mz_range" value=":"/>
2818 <param name="pc_mz_list" value=""/>
2819 <param name="level" value="1 2 3"/>
2820 <param name="sort_peaks" value="false"/>
2821 <param name="no_chromatograms" value="false"/>
2822 <param name="remove_chromatograms" value="false"/>
2823 <param name="remove_empty" value="false"/>
2824 <param name="mz_precision" value="64"/>
2825 <param name="int_precision" value="32"/>
2826 <param name="indexed_file" value="true"/>
2827 <param name="zlib_compression" value="false"/>
2828 <section name="numpress">
2829 <param name="masstime" value="none"/>
2830 <param name="lossy_mass_accuracy" value="-1.0"/>
2831 <param name="intensity" value="none"/>
2832 <param name="float_da" value="none"/>
2833 </section>
2834 </section>
2835 <section name="spectra">
2836 <param name="remove_zoom" value="false"/>
2837 <param name="remove_mode"/>
2838 <param name="remove_activation"/>
2839 <param name="remove_collision_energy" value=":"/>
2840 <param name="remove_isolation_window_width" value=":"/>
2841 <param name="select_zoom" value="false"/>
2842 <param name="select_mode"/>
2843 <param name="select_activation"/>
2844 <param name="select_collision_energy" value=":"/>
2845 <param name="select_isolation_window_width" value=":"/>
2846 <param name="select_polarity"/>
2847 <param name="replace_pc_charge" value=":"/>
2848 <section name="blackorwhitelist">
2849 <param name="similarity_threshold" value="-1.0"/>
2850 <param name="rt" value="0.01"/>
2851 <param name="mz" value="0.01"/>
2852 <param name="use_ppm_tolerance" value="false"/>
2853 <param name="blacklist" value="true"/>
2854 </section>
2855 </section>
2856 <section name="feature">
2857 <param name="q" value=":"/>
2858 </section>
2859 <section name="consensus">
2860 <param name="map" value=""/>
2861 <param name="map_and" value="false"/>
2862 <section name="blackorwhitelist">
2863 <param name="blacklist" value="true"/>
2864 <param name="maps" value=""/>
2865 <param name="rt" value="60.0"/>
2866 <param name="mz" value="0.01"/>
2867 <param name="use_ppm_tolerance" value="false"/>
2868 </section>
2869 </section>
2870 <section name="f_and_c">
2871 <param name="charge" value=":"/>
2872 <param name="size" value=":"/>
2873 <param name="remove_meta" value="&quot;DOESNOTEXIST&quot; &quot;lt&quot; &quot;whatever&quot;"/>
2874 </section>
2875 <section name="id">
2876 <param name="remove_clashes" value="false"/>
2877 <param name="keep_best_score_id" value="false"/>
2878 <param name="sequences_whitelist" value=""/>
2879 <param name="sequence_comparison_method" value="substring"/>
2880 <param name="accessions_whitelist" value=""/>
2881 <param name="remove_annotated_features" value="false"/>
2882 <param name="remove_unannotated_features" value="false"/>
2883 <param name="remove_unassigned_ids" value="false"/>
2884 <param name="rt" value="0.1"/>
2885 <param name="mz" value="0.001"/>
2886 <param name="blacklist_imperfect" value="false"/>
2887 </section>
2888 <section name="algorithm">
2889 <section name="SignalToNoise">
2890 <param name="max_intensity" value="-1"/>
2891 <param name="auto_max_stdev_factor" value="3.0"/>
2892 <param name="auto_max_percentile" value="95"/>
2893 <param name="auto_mode" value="0"/>
2894 <param name="win_len" value="200.0"/>
2895 <param name="bin_count" value="30"/>
2896 <param name="min_required_elements" value="10"/>
2897 <param name="noise_for_empty_window" value="1e+20"/>
2898 <param name="write_log_messages" value="true"/>
2899 </section>
2900 </section>
2901 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
2902 <output name="ctd_out" ftype="xml">
2903 <assert_contents>
2904 <is_valid_xml/>
2905 </assert_contents>
2906 </output>
2907 </test>
2908 <!-- TOPP_FileFilter_25 -->
2909 <test expect_num_outputs="2">
2910 <section name="adv_opts">
2911 <param name="force" value="false"/>
2912 <param name="test" value="true"/>
2913 </section>
2914 <param name="in" value="FileFilter_25_input.mzML.gz"/>
2915 <output name="out" file="FileFilter_25_output.mzML" compare="sim_size" delta_frac="0.7" ftype="mzml"/>
2916 <param name="out_type" value="mzML"/>
2917 <param name="rt" value=":"/>
2918 <param name="mz" value=":"/>
2919 <param name="int" value=":"/>
2920 <param name="sort" value="false"/>
2921 <section name="peak_options">
2922 <param name="sn" value="0.0"/>
2923 <param name="rm_pc_charge" value=""/>
2924 <param name="pc_mz_range" value=":"/>
2925 <param name="pc_mz_list" value=""/>
2926 <param name="level" value="1 2 3"/>
2927 <param name="sort_peaks" value="false"/>
2928 <param name="no_chromatograms" value="false"/>
2929 <param name="remove_chromatograms" value="false"/>
2930 <param name="remove_empty" value="false"/>
2931 <param name="mz_precision" value="64"/>
2932 <param name="int_precision" value="32"/>
2933 <param name="indexed_file" value="true"/>
2934 <param name="zlib_compression" value="false"/>
2935 <section name="numpress">
2936 <param name="masstime" value="none"/>
2937 <param name="lossy_mass_accuracy" value="-1.0"/>
2938 <param name="intensity" value="none"/>
2939 <param name="float_da" value="none"/>
2940 </section>
2941 </section>
2942 <section name="spectra">
2943 <param name="remove_zoom" value="false"/>
2944 <param name="remove_mode"/>
2945 <param name="remove_activation"/>
2946 <param name="remove_collision_energy" value=":"/>
2947 <param name="remove_isolation_window_width" value=":"/>
2948 <param name="select_zoom" value="false"/>
2949 <param name="select_mode"/>
2950 <param name="select_activation"/>
2951 <param name="select_collision_energy" value=":"/>
2952 <param name="select_isolation_window_width" value=":"/>
2953 <param name="select_polarity"/>
2954 <param name="replace_pc_charge" value=":"/>
2955 <section name="blackorwhitelist">
2956 <param name="similarity_threshold" value="-1.0"/>
2957 <param name="rt" value="0.01"/>
2958 <param name="mz" value="0.01"/>
2959 <param name="use_ppm_tolerance" value="false"/>
2960 <param name="blacklist" value="true"/>
2961 </section>
2962 </section>
2963 <section name="feature">
2964 <param name="q" value=":"/>
2965 </section>
2966 <section name="consensus">
2967 <param name="map" value=""/>
2968 <param name="map_and" value="false"/>
2969 <section name="blackorwhitelist">
2970 <param name="blacklist" value="true"/>
2971 <param name="maps" value=""/>
2972 <param name="rt" value="60.0"/>
2973 <param name="mz" value="0.01"/>
2974 <param name="use_ppm_tolerance" value="false"/>
2975 </section>
2976 </section>
2977 <section name="f_and_c">
2978 <param name="charge" value=":"/>
2979 <param name="size" value=":"/>
2980 <param name="remove_meta" value=""/>
2981 </section>
2982 <section name="id">
2983 <param name="remove_clashes" value="false"/>
2984 <param name="keep_best_score_id" value="false"/>
2985 <param name="sequences_whitelist" value=""/>
2986 <param name="sequence_comparison_method" value="substring"/>
2987 <param name="accessions_whitelist" value=""/>
2988 <param name="remove_annotated_features" value="false"/>
2989 <param name="remove_unannotated_features" value="false"/>
2990 <param name="remove_unassigned_ids" value="false"/>
2991 <param name="blacklist" value="FileFilter_25_input.idXML"/>
2992 <param name="rt" value="1.0"/>
2993 <param name="mz" value="0.05"/>
2994 <param name="blacklist_imperfect" value="true"/>
2995 </section>
2996 <section name="algorithm">
2997 <section name="SignalToNoise">
2998 <param name="max_intensity" value="-1"/>
2999 <param name="auto_max_stdev_factor" value="3.0"/>
3000 <param name="auto_max_percentile" value="95"/>
3001 <param name="auto_mode" value="0"/>
3002 <param name="win_len" value="200.0"/>
3003 <param name="bin_count" value="30"/>
3004 <param name="min_required_elements" value="10"/>
3005 <param name="noise_for_empty_window" value="1e+20"/>
3006 <param name="write_log_messages" value="true"/>
3007 </section>
3008 </section>
3009 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
3010 <output name="ctd_out" ftype="xml">
3011 <assert_contents>
3012 <is_valid_xml/>
3013 </assert_contents>
3014 </output>
3015 </test>
3016 <!-- TOPP_FileFilter_26 -->
3017 <test expect_num_outputs="2">
3018 <section name="adv_opts">
3019 <param name="force" value="false"/>
3020 <param name="test" value="true"/>
3021 </section>
3022 <param name="in" value="FileFilter_25_input.mzML.gz"/>
3023 <output name="out" file="FileFilter_25_output.mzML" compare="sim_size" delta_frac="0.7" ftype="mzml"/>
3024 <param name="out_type" value="mzML"/>
3025 <param name="rt" value=":"/>
3026 <param name="mz" value=":"/>
3027 <param name="int" value=":"/>
3028 <param name="sort" value="false"/>
3029 <section name="peak_options">
3030 <param name="sn" value="0.0"/>
3031 <param name="rm_pc_charge" value=""/>
3032 <param name="pc_mz_range" value=":"/>
3033 <param name="pc_mz_list" value=""/>
3034 <param name="level" value="1 2 3"/>
3035 <param name="sort_peaks" value="false"/>
3036 <param name="no_chromatograms" value="false"/>
3037 <param name="remove_chromatograms" value="false"/>
3038 <param name="remove_empty" value="false"/>
3039 <param name="mz_precision" value="64"/>
3040 <param name="int_precision" value="32"/>
3041 <param name="indexed_file" value="true"/>
3042 <param name="zlib_compression" value="false"/>
3043 <section name="numpress">
3044 <param name="masstime" value="none"/>
3045 <param name="lossy_mass_accuracy" value="-1.0"/>
3046 <param name="intensity" value="none"/>
3047 <param name="float_da" value="none"/>
3048 </section>
3049 </section>
3050 <section name="spectra">
3051 <param name="remove_zoom" value="false"/>
3052 <param name="remove_mode"/>
3053 <param name="remove_activation"/>
3054 <param name="remove_collision_energy" value=":"/>
3055 <param name="remove_isolation_window_width" value=":"/>
3056 <param name="select_zoom" value="false"/>
3057 <param name="select_mode"/>
3058 <param name="select_activation"/>
3059 <param name="select_collision_energy" value=":"/>
3060 <param name="select_isolation_window_width" value=":"/>
3061 <param name="select_polarity"/>
3062 <param name="replace_pc_charge" value=":"/>
3063 <section name="blackorwhitelist">
3064 <param name="similarity_threshold" value="-1.0"/>
3065 <param name="rt" value="0.01"/>
3066 <param name="mz" value="0.01"/>
3067 <param name="use_ppm_tolerance" value="false"/>
3068 <param name="blacklist" value="true"/>
3069 </section>
3070 </section>
3071 <section name="feature">
3072 <param name="q" value=":"/>
3073 </section>
3074 <section name="consensus">
3075 <param name="map" value=""/>
3076 <param name="map_and" value="false"/>
3077 <section name="blackorwhitelist">
3078 <param name="blacklist" value="true"/>
3079 <param name="maps" value=""/>
3080 <param name="rt" value="60.0"/>
3081 <param name="mz" value="0.01"/>
3082 <param name="use_ppm_tolerance" value="false"/>
3083 </section>
3084 </section>
3085 <section name="f_and_c">
3086 <param name="charge" value=":"/>
3087 <param name="size" value=":"/>
3088 <param name="remove_meta" value=""/>
3089 </section>
3090 <section name="id">
3091 <param name="remove_clashes" value="false"/>
3092 <param name="keep_best_score_id" value="false"/>
3093 <param name="sequences_whitelist" value=""/>
3094 <param name="sequence_comparison_method" value="substring"/>
3095 <param name="accessions_whitelist" value=""/>
3096 <param name="remove_annotated_features" value="false"/>
3097 <param name="remove_unannotated_features" value="false"/>
3098 <param name="remove_unassigned_ids" value="false"/>
3099 <param name="blacklist" value="FileFilter_25_input.idXML"/>
3100 <param name="rt" value="0.1"/>
3101 <param name="mz" value="0.001"/>
3102 <param name="blacklist_imperfect" value="true"/>
3103 </section>
3104 <section name="algorithm">
3105 <section name="SignalToNoise">
3106 <param name="max_intensity" value="-1"/>
3107 <param name="auto_max_stdev_factor" value="3.0"/>
3108 <param name="auto_max_percentile" value="95"/>
3109 <param name="auto_mode" value="0"/>
3110 <param name="win_len" value="200.0"/>
3111 <param name="bin_count" value="30"/>
3112 <param name="min_required_elements" value="10"/>
3113 <param name="noise_for_empty_window" value="1e+20"/>
3114 <param name="write_log_messages" value="true"/>
3115 </section>
3116 </section>
3117 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
3118 <output name="ctd_out" ftype="xml">
3119 <assert_contents>
3120 <is_valid_xml/>
3121 </assert_contents>
3122 </output>
3123 </test>
3124 <!-- TOPP_FileFilter_28 -->
3125 <test expect_num_outputs="2">
3126 <section name="adv_opts">
3127 <param name="force" value="false"/>
3128 <param name="test" value="true"/>
3129 </section>
3130 <param name="in" value="FileFilter_28_input.mzML.gz"/>
3131 <output name="out" file="FileFilter_28_output.mzML" compare="sim_size" delta_frac="0.7" ftype="mzml"/>
3132 <param name="out_type" value="mzML"/>
3133 <param name="rt" value=":"/>
3134 <param name="mz" value=":"/>
3135 <param name="int" value=":"/>
3136 <param name="sort" value="false"/>
3137 <section name="peak_options">
3138 <param name="sn" value="0.0"/>
3139 <param name="rm_pc_charge" value=""/>
3140 <param name="pc_mz_range" value="832:836"/>
3141 <param name="pc_mz_list" value=""/>
3142 <param name="level" value="2"/>
3143 <param name="sort_peaks" value="false"/>
3144 <param name="no_chromatograms" value="false"/>
3145 <param name="remove_chromatograms" value="false"/>
3146 <param name="remove_empty" value="false"/>
3147 <param name="mz_precision" value="64"/>
3148 <param name="int_precision" value="32"/>
3149 <param name="indexed_file" value="true"/>
3150 <param name="zlib_compression" value="false"/>
3151 <section name="numpress">
3152 <param name="masstime" value="none"/>
3153 <param name="lossy_mass_accuracy" value="-1.0"/>
3154 <param name="intensity" value="none"/>
3155 <param name="float_da" value="none"/>
3156 </section>
3157 </section>
3158 <section name="spectra">
3159 <param name="remove_zoom" value="false"/>
3160 <param name="remove_mode"/>
3161 <param name="remove_activation"/>
3162 <param name="remove_collision_energy" value=":"/>
3163 <param name="remove_isolation_window_width" value=":"/>
3164 <param name="select_zoom" value="false"/>
3165 <param name="select_mode"/>
3166 <param name="select_activation"/>
3167 <param name="select_collision_energy" value=":"/>
3168 <param name="select_isolation_window_width" value=":"/>
3169 <param name="select_polarity"/>
3170 <param name="replace_pc_charge" value=":"/>
3171 <section name="blackorwhitelist">
3172 <param name="similarity_threshold" value="-1.0"/>
3173 <param name="rt" value="0.01"/>
3174 <param name="mz" value="0.01"/>
3175 <param name="use_ppm_tolerance" value="false"/>
3176 <param name="blacklist" value="true"/>
3177 </section>
3178 </section>
3179 <section name="feature">
3180 <param name="q" value=":"/>
3181 </section>
3182 <section name="consensus">
3183 <param name="map" value=""/>
3184 <param name="map_and" value="false"/>
3185 <section name="blackorwhitelist">
3186 <param name="blacklist" value="true"/>
3187 <param name="maps" value=""/>
3188 <param name="rt" value="60.0"/>
3189 <param name="mz" value="0.01"/>
3190 <param name="use_ppm_tolerance" value="false"/>
3191 </section>
3192 </section>
3193 <section name="f_and_c">
3194 <param name="charge" value=":"/>
3195 <param name="size" value=":"/>
3196 <param name="remove_meta" value=""/>
3197 </section>
3198 <section name="id">
3199 <param name="remove_clashes" value="false"/>
3200 <param name="keep_best_score_id" value="false"/>
3201 <param name="sequences_whitelist" value=""/>
3202 <param name="sequence_comparison_method" value="substring"/>
3203 <param name="accessions_whitelist" value=""/>
3204 <param name="remove_annotated_features" value="false"/>
3205 <param name="remove_unannotated_features" value="false"/>
3206 <param name="remove_unassigned_ids" value="false"/>
3207 <param name="rt" value="0.1"/>
3208 <param name="mz" value="0.001"/>
3209 <param name="blacklist_imperfect" value="false"/>
3210 </section>
3211 <section name="algorithm">
3212 <section name="SignalToNoise">
3213 <param name="max_intensity" value="-1"/>
3214 <param name="auto_max_stdev_factor" value="3.0"/>
3215 <param name="auto_max_percentile" value="95"/>
3216 <param name="auto_mode" value="0"/>
3217 <param name="win_len" value="200.0"/>
3218 <param name="bin_count" value="30"/>
3219 <param name="min_required_elements" value="10"/>
3220 <param name="noise_for_empty_window" value="1e+20"/>
3221 <param name="write_log_messages" value="true"/>
3222 </section>
3223 </section>
3224 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
3225 <output name="ctd_out" ftype="xml">
3226 <assert_contents>
3227 <is_valid_xml/>
3228 </assert_contents>
3229 </output>
3230 </test>
3231 <!-- TOPP_FileFilter_29 -->
3232 <test expect_num_outputs="2">
3233 <section name="adv_opts">
3234 <param name="force" value="false"/>
3235 <param name="test" value="true"/>
3236 </section>
3237 <param name="in" value="FileFilter_28_input.mzML.gz"/>
3238 <output name="out" file="FileFilter_29_output.mzML" compare="sim_size" delta_frac="0.7" ftype="mzml"/>
3239 <param name="out_type" value="mzML"/>
3240 <param name="rt" value=":"/>
3241 <param name="mz" value=":"/>
3242 <param name="int" value=":"/>
3243 <param name="sort" value="false"/>
3244 <section name="peak_options">
3245 <param name="sn" value="0.0"/>
3246 <param name="rm_pc_charge" value=""/>
3247 <param name="pc_mz_range" value="832:836"/>
3248 <param name="pc_mz_list" value=""/>
3249 <param name="level" value="1 2"/>
3250 <param name="sort_peaks" value="false"/>
3251 <param name="no_chromatograms" value="false"/>
3252 <param name="remove_chromatograms" value="false"/>
3253 <param name="remove_empty" value="false"/>
3254 <param name="mz_precision" value="64"/>
3255 <param name="int_precision" value="32"/>
3256 <param name="indexed_file" value="true"/>
3257 <param name="zlib_compression" value="false"/>
3258 <section name="numpress">
3259 <param name="masstime" value="none"/>
3260 <param name="lossy_mass_accuracy" value="-1.0"/>
3261 <param name="intensity" value="none"/>
3262 <param name="float_da" value="none"/>
3263 </section>
3264 </section>
3265 <section name="spectra">
3266 <param name="remove_zoom" value="false"/>
3267 <param name="remove_mode"/>
3268 <param name="remove_activation"/>
3269 <param name="remove_collision_energy" value=":"/>
3270 <param name="remove_isolation_window_width" value=":"/>
3271 <param name="select_zoom" value="false"/>
3272 <param name="select_mode"/>
3273 <param name="select_activation"/>
3274 <param name="select_collision_energy" value=":"/>
3275 <param name="select_isolation_window_width" value=":"/>
3276 <param name="select_polarity"/>
3277 <param name="replace_pc_charge" value=":"/>
3278 <section name="blackorwhitelist">
3279 <param name="similarity_threshold" value="-1.0"/>
3280 <param name="rt" value="0.01"/>
3281 <param name="mz" value="0.01"/>
3282 <param name="use_ppm_tolerance" value="false"/>
3283 <param name="blacklist" value="true"/>
3284 </section>
3285 </section>
3286 <section name="feature">
3287 <param name="q" value=":"/>
3288 </section>
3289 <section name="consensus">
3290 <param name="map" value=""/>
3291 <param name="map_and" value="false"/>
3292 <section name="blackorwhitelist">
3293 <param name="blacklist" value="true"/>
3294 <param name="maps" value=""/>
3295 <param name="rt" value="60.0"/>
3296 <param name="mz" value="0.01"/>
3297 <param name="use_ppm_tolerance" value="false"/>
3298 </section>
3299 </section>
3300 <section name="f_and_c">
3301 <param name="charge" value=":"/>
3302 <param name="size" value=":"/>
3303 <param name="remove_meta" value=""/>
3304 </section>
3305 <section name="id">
3306 <param name="remove_clashes" value="false"/>
3307 <param name="keep_best_score_id" value="false"/>
3308 <param name="sequences_whitelist" value=""/>
3309 <param name="sequence_comparison_method" value="substring"/>
3310 <param name="accessions_whitelist" value=""/>
3311 <param name="remove_annotated_features" value="false"/>
3312 <param name="remove_unannotated_features" value="false"/>
3313 <param name="remove_unassigned_ids" value="false"/>
3314 <param name="rt" value="0.1"/>
3315 <param name="mz" value="0.001"/>
3316 <param name="blacklist_imperfect" value="false"/>
3317 </section>
3318 <section name="algorithm">
3319 <section name="SignalToNoise">
3320 <param name="max_intensity" value="-1"/>
3321 <param name="auto_max_stdev_factor" value="3.0"/>
3322 <param name="auto_max_percentile" value="95"/>
3323 <param name="auto_mode" value="0"/>
3324 <param name="win_len" value="200.0"/>
3325 <param name="bin_count" value="30"/>
3326 <param name="min_required_elements" value="10"/>
3327 <param name="noise_for_empty_window" value="1e+20"/>
3328 <param name="write_log_messages" value="true"/>
3329 </section>
3330 </section>
3331 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
3332 <output name="ctd_out" ftype="xml">
3333 <assert_contents>
3334 <is_valid_xml/>
3335 </assert_contents>
3336 </output>
3337 </test>
3338 <!-- TOPP_FileFilter_30 -->
3339 <test expect_num_outputs="2">
3340 <section name="adv_opts">
3341 <param name="force" value="false"/>
3342 <param name="test" value="true"/>
3343 </section>
3344 <param name="in" value="FileFilter_28_input.mzML.gz"/>
3345 <output name="out" file="FileFilter_30_output.mzML" compare="sim_size" delta_frac="0.7" ftype="mzml"/>
3346 <param name="out_type" value="mzML"/>
3347 <param name="rt" value=":"/>
3348 <param name="mz" value=":"/>
3349 <param name="int" value=":"/>
3350 <param name="sort" value="false"/>
3351 <section name="peak_options">
3352 <param name="sn" value="0.0"/>
3353 <param name="rm_pc_charge" value=""/>
3354 <param name="pc_mz_range" value="832:836"/>
3355 <param name="pc_mz_list" value=""/>
3356 <param name="level" value="1 2"/>
3357 <param name="sort_peaks" value="false"/>
3358 <param name="no_chromatograms" value="false"/>
3359 <param name="remove_chromatograms" value="false"/>
3360 <param name="remove_empty" value="false"/>
3361 <param name="mz_precision" value="64"/>
3362 <param name="int_precision" value="32"/>
3363 <param name="indexed_file" value="true"/>
3364 <param name="zlib_compression" value="false"/>
3365 <section name="numpress">
3366 <param name="masstime" value="none"/>
3367 <param name="lossy_mass_accuracy" value="-1.0"/>
3368 <param name="intensity" value="none"/>
3369 <param name="float_da" value="none"/>
3370 </section>
3371 </section>
3372 <section name="spectra">
3373 <param name="remove_zoom" value="false"/>
3374 <param name="remove_mode"/>
3375 <param name="remove_activation"/>
3376 <param name="remove_collision_energy" value=":"/>
3377 <param name="remove_isolation_window_width" value=":"/>
3378 <param name="select_zoom" value="false"/>
3379 <param name="select_mode"/>
3380 <param name="select_activation"/>
3381 <param name="select_collision_energy" value=":"/>
3382 <param name="select_isolation_window_width" value=":"/>
3383 <param name="select_polarity"/>
3384 <param name="replace_pc_charge" value=":"/>
3385 <section name="blackorwhitelist">
3386 <param name="similarity_threshold" value="-1.0"/>
3387 <param name="rt" value="0.01"/>
3388 <param name="mz" value="0.01"/>
3389 <param name="use_ppm_tolerance" value="false"/>
3390 <param name="blacklist" value="true"/>
3391 </section>
3392 </section>
3393 <section name="feature">
3394 <param name="q" value=":"/>
3395 </section>
3396 <section name="consensus">
3397 <param name="map" value=""/>
3398 <param name="map_and" value="false"/>
3399 <section name="blackorwhitelist">
3400 <param name="blacklist" value="true"/>
3401 <param name="maps" value=""/>
3402 <param name="rt" value="60.0"/>
3403 <param name="mz" value="0.01"/>
3404 <param name="use_ppm_tolerance" value="false"/>
3405 </section>
3406 </section>
3407 <section name="f_and_c">
3408 <param name="charge" value=":"/>
3409 <param name="size" value=":"/>
3410 <param name="remove_meta" value=""/>
3411 </section>
3412 <section name="id">
3413 <param name="remove_clashes" value="false"/>
3414 <param name="keep_best_score_id" value="false"/>
3415 <param name="sequences_whitelist" value=""/>
3416 <param name="sequence_comparison_method" value="substring"/>
3417 <param name="accessions_whitelist" value=""/>
3418 <param name="remove_annotated_features" value="false"/>
3419 <param name="remove_unannotated_features" value="false"/>
3420 <param name="remove_unassigned_ids" value="false"/>
3421 <param name="rt" value="0.1"/>
3422 <param name="mz" value="0.001"/>
3423 <param name="blacklist_imperfect" value="false"/>
3424 </section>
3425 <section name="algorithm">
3426 <section name="SignalToNoise">
3427 <param name="max_intensity" value="-1"/>
3428 <param name="auto_max_stdev_factor" value="3.0"/>
3429 <param name="auto_max_percentile" value="95"/>
3430 <param name="auto_mode" value="0"/>
3431 <param name="win_len" value="200.0"/>
3432 <param name="bin_count" value="30"/>
3433 <param name="min_required_elements" value="10"/>
3434 <param name="noise_for_empty_window" value="1e+20"/>
3435 <param name="write_log_messages" value="true"/>
3436 </section>
3437 </section>
3438 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
3439 <output name="ctd_out" ftype="xml">
3440 <assert_contents>
3441 <is_valid_xml/>
3442 </assert_contents>
3443 </output>
3444 </test>
3445 <!-- TOPP_FileFilter_31 -->
3446 <test expect_num_outputs="2">
3447 <section name="adv_opts">
3448 <param name="force" value="false"/>
3449 <param name="test" value="true"/>
3450 </section>
3451 <param name="in" value="FileFilter_31_34_input.mzML"/>
3452 <output name="out" file="FileFilter_31_remove_collision_energy.mzML" compare="sim_size" delta_frac="0.7" ftype="mzml"/>
3453 <param name="out_type" value="mzML"/>
3454 <param name="rt" value=":"/>
3455 <param name="mz" value=":"/>
3456 <param name="int" value=":"/>
3457 <param name="sort" value="false"/>
3458 <section name="peak_options">
3459 <param name="sn" value="0.0"/>
3460 <param name="rm_pc_charge" value=""/>
3461 <param name="pc_mz_range" value=":"/>
3462 <param name="pc_mz_list" value=""/>
3463 <param name="level" value="1 2 3"/>
3464 <param name="sort_peaks" value="false"/>
3465 <param name="no_chromatograms" value="false"/>
3466 <param name="remove_chromatograms" value="false"/>
3467 <param name="remove_empty" value="false"/>
3468 <param name="mz_precision" value="64"/>
3469 <param name="int_precision" value="32"/>
3470 <param name="indexed_file" value="true"/>
3471 <param name="zlib_compression" value="false"/>
3472 <section name="numpress">
3473 <param name="masstime" value="none"/>
3474 <param name="lossy_mass_accuracy" value="-1.0"/>
3475 <param name="intensity" value="none"/>
3476 <param name="float_da" value="none"/>
3477 </section>
3478 </section>
3479 <section name="spectra">
3480 <param name="remove_zoom" value="false"/>
3481 <param name="remove_mode"/>
3482 <param name="remove_activation"/>
3483 <param name="remove_collision_energy" value=":"/>
3484 <param name="remove_isolation_window_width" value=":2"/>
3485 <param name="select_zoom" value="false"/>
3486 <param name="select_mode"/>
3487 <param name="select_activation"/>
3488 <param name="select_collision_energy" value=":"/>
3489 <param name="select_isolation_window_width" value=":"/>
3490 <param name="select_polarity"/>
3491 <param name="replace_pc_charge" value=":"/>
3492 <section name="blackorwhitelist">
3493 <param name="similarity_threshold" value="-1.0"/>
3494 <param name="rt" value="0.01"/>
3495 <param name="mz" value="0.01"/>
3496 <param name="use_ppm_tolerance" value="false"/>
3497 <param name="blacklist" value="true"/>
3498 </section>
3499 </section>
3500 <section name="feature">
3501 <param name="q" value=":"/>
3502 </section>
3503 <section name="consensus">
3504 <param name="map" value=""/>
3505 <param name="map_and" value="false"/>
3506 <section name="blackorwhitelist">
3507 <param name="blacklist" value="true"/>
3508 <param name="maps" value=""/>
3509 <param name="rt" value="60.0"/>
3510 <param name="mz" value="0.01"/>
3511 <param name="use_ppm_tolerance" value="false"/>
3512 </section>
3513 </section>
3514 <section name="f_and_c">
3515 <param name="charge" value=":"/>
3516 <param name="size" value=":"/>
3517 <param name="remove_meta" value=""/>
3518 </section>
3519 <section name="id">
3520 <param name="remove_clashes" value="false"/>
3521 <param name="keep_best_score_id" value="false"/>
3522 <param name="sequences_whitelist" value=""/>
3523 <param name="sequence_comparison_method" value="substring"/>
3524 <param name="accessions_whitelist" value=""/>
3525 <param name="remove_annotated_features" value="false"/>
3526 <param name="remove_unannotated_features" value="false"/>
3527 <param name="remove_unassigned_ids" value="false"/>
3528 <param name="rt" value="0.1"/>
3529 <param name="mz" value="0.001"/>
3530 <param name="blacklist_imperfect" value="false"/>
3531 </section>
3532 <section name="algorithm">
3533 <section name="SignalToNoise">
3534 <param name="max_intensity" value="-1"/>
3535 <param name="auto_max_stdev_factor" value="3.0"/>
3536 <param name="auto_max_percentile" value="95"/>
3537 <param name="auto_mode" value="0"/>
3538 <param name="win_len" value="200.0"/>
3539 <param name="bin_count" value="30"/>
3540 <param name="min_required_elements" value="10"/>
3541 <param name="noise_for_empty_window" value="1e+20"/>
3542 <param name="write_log_messages" value="true"/>
3543 </section>
3544 </section>
3545 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
3546 <output name="ctd_out" ftype="xml">
3547 <assert_contents>
3548 <is_valid_xml/>
3549 </assert_contents>
3550 </output>
3551 </test>
3552 <!-- TOPP_FileFilter_32 -->
3553 <test expect_num_outputs="2">
3554 <section name="adv_opts">
3555 <param name="force" value="false"/>
3556 <param name="test" value="true"/>
3557 </section>
3558 <param name="in" value="FileFilter_31_34_input.mzML"/>
3559 <output name="out" file="FileFilter_32_select_collision_energy.mzML" compare="sim_size" delta_frac="0.7" ftype="mzml"/>
3560 <param name="out_type" value="mzML"/>
3561 <param name="rt" value=":"/>
3562 <param name="mz" value=":"/>
3563 <param name="int" value=":"/>
3564 <param name="sort" value="false"/>
3565 <section name="peak_options">
3566 <param name="sn" value="0.0"/>
3567 <param name="rm_pc_charge" value=""/>
3568 <param name="pc_mz_range" value=":"/>
3569 <param name="pc_mz_list" value=""/>
3570 <param name="level" value="1 2 3"/>
3571 <param name="sort_peaks" value="false"/>
3572 <param name="no_chromatograms" value="false"/>
3573 <param name="remove_chromatograms" value="false"/>
3574 <param name="remove_empty" value="false"/>
3575 <param name="mz_precision" value="64"/>
3576 <param name="int_precision" value="32"/>
3577 <param name="indexed_file" value="true"/>
3578 <param name="zlib_compression" value="false"/>
3579 <section name="numpress">
3580 <param name="masstime" value="none"/>
3581 <param name="lossy_mass_accuracy" value="-1.0"/>
3582 <param name="intensity" value="none"/>
3583 <param name="float_da" value="none"/>
3584 </section>
3585 </section>
3586 <section name="spectra">
3587 <param name="remove_zoom" value="false"/>
3588 <param name="remove_mode"/>
3589 <param name="remove_activation"/>
3590 <param name="remove_collision_energy" value=":"/>
3591 <param name="remove_isolation_window_width" value=":"/>
3592 <param name="select_zoom" value="false"/>
3593 <param name="select_mode"/>
3594 <param name="select_activation"/>
3595 <param name="select_collision_energy" value=":"/>
3596 <param name="select_isolation_window_width" value=":2"/>
3597 <param name="select_polarity"/>
3598 <param name="replace_pc_charge" value=":"/>
3599 <section name="blackorwhitelist">
3600 <param name="similarity_threshold" value="-1.0"/>
3601 <param name="rt" value="0.01"/>
3602 <param name="mz" value="0.01"/>
3603 <param name="use_ppm_tolerance" value="false"/>
3604 <param name="blacklist" value="true"/>
3605 </section>
3606 </section>
3607 <section name="feature">
3608 <param name="q" value=":"/>
3609 </section>
3610 <section name="consensus">
3611 <param name="map" value=""/>
3612 <param name="map_and" value="false"/>
3613 <section name="blackorwhitelist">
3614 <param name="blacklist" value="true"/>
3615 <param name="maps" value=""/>
3616 <param name="rt" value="60.0"/>
3617 <param name="mz" value="0.01"/>
3618 <param name="use_ppm_tolerance" value="false"/>
3619 </section>
3620 </section>
3621 <section name="f_and_c">
3622 <param name="charge" value=":"/>
3623 <param name="size" value=":"/>
3624 <param name="remove_meta" value=""/>
3625 </section>
3626 <section name="id">
3627 <param name="remove_clashes" value="false"/>
3628 <param name="keep_best_score_id" value="false"/>
3629 <param name="sequences_whitelist" value=""/>
3630 <param name="sequence_comparison_method" value="substring"/>
3631 <param name="accessions_whitelist" value=""/>
3632 <param name="remove_annotated_features" value="false"/>
3633 <param name="remove_unannotated_features" value="false"/>
3634 <param name="remove_unassigned_ids" value="false"/>
3635 <param name="rt" value="0.1"/>
3636 <param name="mz" value="0.001"/>
3637 <param name="blacklist_imperfect" value="false"/>
3638 </section>
3639 <section name="algorithm">
3640 <section name="SignalToNoise">
3641 <param name="max_intensity" value="-1"/>
3642 <param name="auto_max_stdev_factor" value="3.0"/>
3643 <param name="auto_max_percentile" value="95"/>
3644 <param name="auto_mode" value="0"/>
3645 <param name="win_len" value="200.0"/>
3646 <param name="bin_count" value="30"/>
3647 <param name="min_required_elements" value="10"/>
3648 <param name="noise_for_empty_window" value="1e+20"/>
3649 <param name="write_log_messages" value="true"/>
3650 </section>
3651 </section>
3652 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
3653 <output name="ctd_out" ftype="xml">
3654 <assert_contents>
3655 <is_valid_xml/>
3656 </assert_contents>
3657 </output>
3658 </test>
3659 <!-- TOPP_FileFilter_33 -->
3660 <test expect_num_outputs="2">
3661 <section name="adv_opts">
3662 <param name="force" value="false"/>
3663 <param name="test" value="true"/>
3664 </section>
3665 <param name="in" value="FileFilter_31_34_input.mzML"/>
3666 <output name="out" file="FileFilter_33_remove_isolation_window.mzML" compare="sim_size" delta_frac="0.7" ftype="mzml"/>
3667 <param name="out_type" value="mzML"/>
3668 <param name="rt" value=":"/>
3669 <param name="mz" value=":"/>
3670 <param name="int" value=":"/>
3671 <param name="sort" value="false"/>
3672 <section name="peak_options">
3673 <param name="sn" value="0.0"/>
3674 <param name="rm_pc_charge" value=""/>
3675 <param name="pc_mz_range" value=":"/>
3676 <param name="pc_mz_list" value=""/>
3677 <param name="level" value="1 2 3"/>
3678 <param name="sort_peaks" value="false"/>
3679 <param name="no_chromatograms" value="false"/>
3680 <param name="remove_chromatograms" value="false"/>
3681 <param name="remove_empty" value="false"/>
3682 <param name="mz_precision" value="64"/>
3683 <param name="int_precision" value="32"/>
3684 <param name="indexed_file" value="true"/>
3685 <param name="zlib_compression" value="false"/>
3686 <section name="numpress">
3687 <param name="masstime" value="none"/>
3688 <param name="lossy_mass_accuracy" value="-1.0"/>
3689 <param name="intensity" value="none"/>
3690 <param name="float_da" value="none"/>
3691 </section>
3692 </section>
3693 <section name="spectra">
3694 <param name="remove_zoom" value="false"/>
3695 <param name="remove_mode"/>
3696 <param name="remove_activation"/>
3697 <param name="remove_collision_energy" value=":35"/>
3698 <param name="remove_isolation_window_width" value=":"/>
3699 <param name="select_zoom" value="false"/>
3700 <param name="select_mode"/>
3701 <param name="select_activation"/>
3702 <param name="select_collision_energy" value=":"/>
3703 <param name="select_isolation_window_width" value=":"/>
3704 <param name="select_polarity"/>
3705 <param name="replace_pc_charge" value=":"/>
3706 <section name="blackorwhitelist">
3707 <param name="similarity_threshold" value="-1.0"/>
3708 <param name="rt" value="0.01"/>
3709 <param name="mz" value="0.01"/>
3710 <param name="use_ppm_tolerance" value="false"/>
3711 <param name="blacklist" value="true"/>
3712 </section>
3713 </section>
3714 <section name="feature">
3715 <param name="q" value=":"/>
3716 </section>
3717 <section name="consensus">
3718 <param name="map" value=""/>
3719 <param name="map_and" value="false"/>
3720 <section name="blackorwhitelist">
3721 <param name="blacklist" value="true"/>
3722 <param name="maps" value=""/>
3723 <param name="rt" value="60.0"/>
3724 <param name="mz" value="0.01"/>
3725 <param name="use_ppm_tolerance" value="false"/>
3726 </section>
3727 </section>
3728 <section name="f_and_c">
3729 <param name="charge" value=":"/>
3730 <param name="size" value=":"/>
3731 <param name="remove_meta" value=""/>
3732 </section>
3733 <section name="id">
3734 <param name="remove_clashes" value="false"/>
3735 <param name="keep_best_score_id" value="false"/>
3736 <param name="sequences_whitelist" value=""/>
3737 <param name="sequence_comparison_method" value="substring"/>
3738 <param name="accessions_whitelist" value=""/>
3739 <param name="remove_annotated_features" value="false"/>
3740 <param name="remove_unannotated_features" value="false"/>
3741 <param name="remove_unassigned_ids" value="false"/>
3742 <param name="rt" value="0.1"/>
3743 <param name="mz" value="0.001"/>
3744 <param name="blacklist_imperfect" value="false"/>
3745 </section>
3746 <section name="algorithm">
3747 <section name="SignalToNoise">
3748 <param name="max_intensity" value="-1"/>
3749 <param name="auto_max_stdev_factor" value="3.0"/>
3750 <param name="auto_max_percentile" value="95"/>
3751 <param name="auto_mode" value="0"/>
3752 <param name="win_len" value="200.0"/>
3753 <param name="bin_count" value="30"/>
3754 <param name="min_required_elements" value="10"/>
3755 <param name="noise_for_empty_window" value="1e+20"/>
3756 <param name="write_log_messages" value="true"/>
3757 </section>
3758 </section>
3759 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
3760 <output name="ctd_out" ftype="xml">
3761 <assert_contents>
3762 <is_valid_xml/>
3763 </assert_contents>
3764 </output>
3765 </test>
3766 <!-- TOPP_FileFilter_34 -->
3767 <test expect_num_outputs="2">
3768 <section name="adv_opts">
3769 <param name="force" value="false"/>
3770 <param name="test" value="true"/>
3771 </section>
3772 <param name="in" value="FileFilter_31_34_input.mzML"/>
3773 <output name="out" file="FileFilter_34_select_isolation_window.mzML" compare="sim_size" delta_frac="0.7" ftype="mzml"/>
3774 <param name="out_type" value="mzML"/>
3775 <param name="rt" value=":"/>
3776 <param name="mz" value=":"/>
3777 <param name="int" value=":"/>
3778 <param name="sort" value="false"/>
3779 <section name="peak_options">
3780 <param name="sn" value="0.0"/>
3781 <param name="rm_pc_charge" value=""/>
3782 <param name="pc_mz_range" value=":"/>
3783 <param name="pc_mz_list" value=""/>
3784 <param name="level" value="1 2 3"/>
3785 <param name="sort_peaks" value="false"/>
3786 <param name="no_chromatograms" value="false"/>
3787 <param name="remove_chromatograms" value="false"/>
3788 <param name="remove_empty" value="false"/>
3789 <param name="mz_precision" value="64"/>
3790 <param name="int_precision" value="32"/>
3791 <param name="indexed_file" value="true"/>
3792 <param name="zlib_compression" value="false"/>
3793 <section name="numpress">
3794 <param name="masstime" value="none"/>
3795 <param name="lossy_mass_accuracy" value="-1.0"/>
3796 <param name="intensity" value="none"/>
3797 <param name="float_da" value="none"/>
3798 </section>
3799 </section>
3800 <section name="spectra">
3801 <param name="remove_zoom" value="false"/>
3802 <param name="remove_mode"/>
3803 <param name="remove_activation"/>
3804 <param name="remove_collision_energy" value=":"/>
3805 <param name="remove_isolation_window_width" value=":"/>
3806 <param name="select_zoom" value="false"/>
3807 <param name="select_mode"/>
3808 <param name="select_activation"/>
3809 <param name="select_collision_energy" value=":35"/>
3810 <param name="select_isolation_window_width" value=":"/>
3811 <param name="select_polarity"/>
3812 <param name="replace_pc_charge" value=":"/>
3813 <section name="blackorwhitelist">
3814 <param name="similarity_threshold" value="-1.0"/>
3815 <param name="rt" value="0.01"/>
3816 <param name="mz" value="0.01"/>
3817 <param name="use_ppm_tolerance" value="false"/>
3818 <param name="blacklist" value="true"/>
3819 </section>
3820 </section>
3821 <section name="feature">
3822 <param name="q" value=":"/>
3823 </section>
3824 <section name="consensus">
3825 <param name="map" value=""/>
3826 <param name="map_and" value="false"/>
3827 <section name="blackorwhitelist">
3828 <param name="blacklist" value="true"/>
3829 <param name="maps" value=""/>
3830 <param name="rt" value="60.0"/>
3831 <param name="mz" value="0.01"/>
3832 <param name="use_ppm_tolerance" value="false"/>
3833 </section>
3834 </section>
3835 <section name="f_and_c">
3836 <param name="charge" value=":"/>
3837 <param name="size" value=":"/>
3838 <param name="remove_meta" value=""/>
3839 </section>
3840 <section name="id">
3841 <param name="remove_clashes" value="false"/>
3842 <param name="keep_best_score_id" value="false"/>
3843 <param name="sequences_whitelist" value=""/>
3844 <param name="sequence_comparison_method" value="substring"/>
3845 <param name="accessions_whitelist" value=""/>
3846 <param name="remove_annotated_features" value="false"/>
3847 <param name="remove_unannotated_features" value="false"/>
3848 <param name="remove_unassigned_ids" value="false"/>
3849 <param name="rt" value="0.1"/>
3850 <param name="mz" value="0.001"/>
3851 <param name="blacklist_imperfect" value="false"/>
3852 </section>
3853 <section name="algorithm">
3854 <section name="SignalToNoise">
3855 <param name="max_intensity" value="-1"/>
3856 <param name="auto_max_stdev_factor" value="3.0"/>
3857 <param name="auto_max_percentile" value="95"/>
3858 <param name="auto_mode" value="0"/>
3859 <param name="win_len" value="200.0"/>
3860 <param name="bin_count" value="30"/>
3861 <param name="min_required_elements" value="10"/>
3862 <param name="noise_for_empty_window" value="1e+20"/>
3863 <param name="write_log_messages" value="true"/>
3864 </section>
3865 </section>
3866 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
3867 <output name="ctd_out" ftype="xml">
3868 <assert_contents>
3869 <is_valid_xml/>
3870 </assert_contents>
3871 </output>
3872 </test>
3873 <!-- TOPP_FileFilter_35 -->
3874 <test expect_num_outputs="2">
3875 <section name="adv_opts">
3876 <param name="force" value="false"/>
3877 <param name="test" value="true"/>
3878 </section>
3879 <param name="in" value="FileFilter_1_input.mzML"/>
3880 <output name="out" file="FileFilter_35_output.mzML" compare="sim_size" delta_frac="0.7" ftype="mzml"/>
3881 <param name="out_type" value="mzML"/>
3882 <param name="rt" value=":"/>
3883 <param name="mz" value=":"/>
3884 <param name="int" value=":"/>
3885 <param name="sort" value="false"/>
3886 <section name="peak_options">
3887 <param name="sn" value="0.0"/>
3888 <param name="rm_pc_charge" value=""/>
3889 <param name="pc_mz_range" value=":"/>
3890 <param name="pc_mz_list" value=""/>
3891 <param name="level" value="1 2 3"/>
3892 <param name="sort_peaks" value="false"/>
3893 <param name="no_chromatograms" value="false"/>
3894 <param name="remove_chromatograms" value="false"/>
3895 <param name="remove_empty" value="false"/>
3896 <param name="mz_precision" value="64"/>
3897 <param name="int_precision" value="32"/>
3898 <param name="indexed_file" value="true"/>
3899 <param name="zlib_compression" value="false"/>
3900 <section name="numpress">
3901 <param name="masstime" value="none"/>
3902 <param name="lossy_mass_accuracy" value="-1.0"/>
3903 <param name="intensity" value="none"/>
3904 <param name="float_da" value="none"/>
3905 </section>
3906 </section>
3907 <section name="spectra">
3908 <param name="remove_zoom" value="false"/>
3909 <param name="remove_mode"/>
3910 <param name="remove_activation"/>
3911 <param name="remove_collision_energy" value=":"/>
3912 <param name="remove_isolation_window_width" value=":"/>
3913 <param name="select_zoom" value="false"/>
3914 <param name="select_mode"/>
3915 <param name="select_activation"/>
3916 <param name="select_collision_energy" value=":"/>
3917 <param name="select_isolation_window_width" value=":"/>
3918 <param name="select_polarity"/>
3919 <param name="replace_pc_charge" value=":"/>
3920 <section name="blackorwhitelist">
3921 <param name="similarity_threshold" value="-1.0"/>
3922 <param name="rt" value="0.01"/>
3923 <param name="mz" value="0.01"/>
3924 <param name="use_ppm_tolerance" value="false"/>
3925 <param name="blacklist" value="true"/>
3926 </section>
3927 </section>
3928 <section name="feature">
3929 <param name="q" value=":"/>
3930 </section>
3931 <section name="consensus">
3932 <param name="map" value=""/>
3933 <param name="map_and" value="false"/>
3934 <section name="blackorwhitelist">
3935 <param name="blacklist" value="true"/>
3936 <param name="maps" value=""/>
3937 <param name="rt" value="60.0"/>
3938 <param name="mz" value="0.01"/>
3939 <param name="use_ppm_tolerance" value="false"/>
3940 </section>
3941 </section>
3942 <section name="f_and_c">
3943 <param name="charge" value=":"/>
3944 <param name="size" value=":"/>
3945 <param name="remove_meta" value=""/>
3946 </section>
3947 <section name="id">
3948 <param name="remove_clashes" value="false"/>
3949 <param name="keep_best_score_id" value="false"/>
3950 <param name="sequences_whitelist" value=""/>
3951 <param name="sequence_comparison_method" value="substring"/>
3952 <param name="accessions_whitelist" value=""/>
3953 <param name="remove_annotated_features" value="false"/>
3954 <param name="remove_unannotated_features" value="false"/>
3955 <param name="remove_unassigned_ids" value="false"/>
3956 <param name="rt" value="0.1"/>
3957 <param name="mz" value="0.001"/>
3958 <param name="blacklist_imperfect" value="false"/>
3959 </section>
3960 <section name="algorithm">
3961 <section name="SignalToNoise">
3962 <param name="max_intensity" value="-1"/>
3963 <param name="auto_max_stdev_factor" value="3.0"/>
3964 <param name="auto_max_percentile" value="95"/>
3965 <param name="auto_mode" value="0"/>
3966 <param name="win_len" value="200.0"/>
3967 <param name="bin_count" value="30"/>
3968 <param name="min_required_elements" value="10"/>
3969 <param name="noise_for_empty_window" value="1e+20"/>
3970 <param name="write_log_messages" value="true"/>
3971 </section>
3972 </section>
3973 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
3974 <output name="ctd_out" ftype="xml">
3975 <assert_contents>
3976 <is_valid_xml/>
3977 </assert_contents>
3978 </output>
3979 </test>
3980 <!-- TOPP_FileFilter_36 -->
3981 <test expect_num_outputs="2">
3982 <section name="adv_opts">
3983 <param name="force" value="false"/>
3984 <param name="test" value="true"/>
3985 </section>
3986 <param name="in" value="FileFilter_1_input.mzML"/>
3987 <output name="out" file="FileFilter_36_output.mzML" compare="sim_size" delta_frac="0.7" ftype="mzml"/>
3988 <param name="out_type" value="mzML"/>
3989 <param name="rt" value=":"/>
3990 <param name="mz" value=":"/>
3991 <param name="int" value=":"/>
3992 <param name="sort" value="false"/>
3993 <section name="peak_options">
3994 <param name="sn" value="0.0"/>
3995 <param name="rm_pc_charge" value=""/>
3996 <param name="pc_mz_range" value=":"/>
3997 <param name="pc_mz_list" value=""/>
3998 <param name="level" value="1 2 3"/>
3999 <param name="sort_peaks" value="false"/>
4000 <param name="no_chromatograms" value="false"/>
4001 <param name="remove_chromatograms" value="false"/>
4002 <param name="remove_empty" value="false"/>
4003 <param name="mz_precision" value="64"/>
4004 <param name="int_precision" value="32"/>
4005 <param name="indexed_file" value="false"/>
4006 <param name="zlib_compression" value="false"/>
4007 <section name="numpress">
4008 <param name="masstime" value="none"/>
4009 <param name="lossy_mass_accuracy" value="-1.0"/>
4010 <param name="intensity" value="none"/>
4011 <param name="float_da" value="none"/>
4012 </section>
4013 </section>
4014 <section name="spectra">
4015 <param name="remove_zoom" value="false"/>
4016 <param name="remove_mode"/>
4017 <param name="remove_activation"/>
4018 <param name="remove_collision_energy" value=":"/>
4019 <param name="remove_isolation_window_width" value=":"/>
4020 <param name="select_zoom" value="false"/>
4021 <param name="select_mode"/>
4022 <param name="select_activation"/>
4023 <param name="select_collision_energy" value=":"/>
4024 <param name="select_isolation_window_width" value=":"/>
4025 <param name="select_polarity"/>
4026 <param name="replace_pc_charge" value=":"/>
4027 <section name="blackorwhitelist">
4028 <param name="similarity_threshold" value="-1.0"/>
4029 <param name="rt" value="0.01"/>
4030 <param name="mz" value="0.01"/>
4031 <param name="use_ppm_tolerance" value="false"/>
4032 <param name="blacklist" value="true"/>
4033 </section>
4034 </section>
4035 <section name="feature">
4036 <param name="q" value=":"/>
4037 </section>
4038 <section name="consensus">
4039 <param name="map" value=""/>
4040 <param name="map_and" value="false"/>
4041 <section name="blackorwhitelist">
4042 <param name="blacklist" value="true"/>
4043 <param name="maps" value=""/>
4044 <param name="rt" value="60.0"/>
4045 <param name="mz" value="0.01"/>
4046 <param name="use_ppm_tolerance" value="false"/>
4047 </section>
4048 </section>
4049 <section name="f_and_c">
4050 <param name="charge" value=":"/>
4051 <param name="size" value=":"/>
4052 <param name="remove_meta" value=""/>
4053 </section>
4054 <section name="id">
4055 <param name="remove_clashes" value="false"/>
4056 <param name="keep_best_score_id" value="false"/>
4057 <param name="sequences_whitelist" value=""/>
4058 <param name="sequence_comparison_method" value="substring"/>
4059 <param name="accessions_whitelist" value=""/>
4060 <param name="remove_annotated_features" value="false"/>
4061 <param name="remove_unannotated_features" value="false"/>
4062 <param name="remove_unassigned_ids" value="false"/>
4063 <param name="rt" value="0.1"/>
4064 <param name="mz" value="0.001"/>
4065 <param name="blacklist_imperfect" value="false"/>
4066 </section>
4067 <section name="algorithm">
4068 <section name="SignalToNoise">
4069 <param name="max_intensity" value="-1"/>
4070 <param name="auto_max_stdev_factor" value="3.0"/>
4071 <param name="auto_max_percentile" value="95"/>
4072 <param name="auto_mode" value="0"/>
4073 <param name="win_len" value="200.0"/>
4074 <param name="bin_count" value="30"/>
4075 <param name="min_required_elements" value="10"/>
4076 <param name="noise_for_empty_window" value="1e+20"/>
4077 <param name="write_log_messages" value="true"/>
4078 </section>
4079 </section>
4080 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
4081 <output name="ctd_out" ftype="xml">
4082 <assert_contents>
4083 <is_valid_xml/>
4084 </assert_contents>
4085 </output>
4086 </test>
4087 <!-- TOPP_FileFilter_37 -->
4088 <test expect_num_outputs="2">
4089 <section name="adv_opts">
4090 <param name="force" value="false"/>
4091 <param name="test" value="true"/>
4092 </section>
4093 <param name="in" value="FileFilter_1_input.mzML"/>
4094 <output name="out" file="FileFilter_37_output.mzML" compare="sim_size" delta_frac="0.7" ftype="mzml"/>
4095 <param name="out_type" value="mzML"/>
4096 <param name="rt" value=":"/>
4097 <param name="mz" value=":"/>
4098 <param name="int" value=":"/>
4099 <param name="sort" value="false"/>
4100 <section name="peak_options">
4101 <param name="sn" value="0.0"/>
4102 <param name="rm_pc_charge" value=""/>
4103 <param name="pc_mz_range" value=":"/>
4104 <param name="pc_mz_list" value=""/>
4105 <param name="level" value="1 2 3"/>
4106 <param name="sort_peaks" value="false"/>
4107 <param name="no_chromatograms" value="false"/>
4108 <param name="remove_chromatograms" value="false"/>
4109 <param name="remove_empty" value="false"/>
4110 <param name="mz_precision" value="64"/>
4111 <param name="int_precision" value="32"/>
4112 <param name="indexed_file" value="true"/>
4113 <param name="zlib_compression" value="false"/>
4114 <section name="numpress">
4115 <param name="masstime" value="linear"/>
4116 <param name="lossy_mass_accuracy" value="0.0001"/>
4117 <param name="intensity" value="slof"/>
4118 <param name="float_da" value="none"/>
4119 </section>
4120 </section>
4121 <section name="spectra">
4122 <param name="remove_zoom" value="false"/>
4123 <param name="remove_mode"/>
4124 <param name="remove_activation"/>
4125 <param name="remove_collision_energy" value=":"/>
4126 <param name="remove_isolation_window_width" value=":"/>
4127 <param name="select_zoom" value="false"/>
4128 <param name="select_mode"/>
4129 <param name="select_activation"/>
4130 <param name="select_collision_energy" value=":"/>
4131 <param name="select_isolation_window_width" value=":"/>
4132 <param name="select_polarity"/>
4133 <param name="replace_pc_charge" value=":"/>
4134 <section name="blackorwhitelist">
4135 <param name="similarity_threshold" value="-1.0"/>
4136 <param name="rt" value="0.01"/>
4137 <param name="mz" value="0.01"/>
4138 <param name="use_ppm_tolerance" value="false"/>
4139 <param name="blacklist" value="true"/>
4140 </section>
4141 </section>
4142 <section name="feature">
4143 <param name="q" value=":"/>
4144 </section>
4145 <section name="consensus">
4146 <param name="map" value=""/>
4147 <param name="map_and" value="false"/>
4148 <section name="blackorwhitelist">
4149 <param name="blacklist" value="true"/>
4150 <param name="maps" value=""/>
4151 <param name="rt" value="60.0"/>
4152 <param name="mz" value="0.01"/>
4153 <param name="use_ppm_tolerance" value="false"/>
4154 </section>
4155 </section>
4156 <section name="f_and_c">
4157 <param name="charge" value=":"/>
4158 <param name="size" value=":"/>
4159 <param name="remove_meta" value=""/>
4160 </section>
4161 <section name="id">
4162 <param name="remove_clashes" value="false"/>
4163 <param name="keep_best_score_id" value="false"/>
4164 <param name="sequences_whitelist" value=""/>
4165 <param name="sequence_comparison_method" value="substring"/>
4166 <param name="accessions_whitelist" value=""/>
4167 <param name="remove_annotated_features" value="false"/>
4168 <param name="remove_unannotated_features" value="false"/>
4169 <param name="remove_unassigned_ids" value="false"/>
4170 <param name="rt" value="0.1"/>
4171 <param name="mz" value="0.001"/>
4172 <param name="blacklist_imperfect" value="false"/>
4173 </section>
4174 <section name="algorithm">
4175 <section name="SignalToNoise">
4176 <param name="max_intensity" value="-1"/>
4177 <param name="auto_max_stdev_factor" value="3.0"/>
4178 <param name="auto_max_percentile" value="95"/>
4179 <param name="auto_mode" value="0"/>
4180 <param name="win_len" value="200.0"/>
4181 <param name="bin_count" value="30"/>
4182 <param name="min_required_elements" value="10"/>
4183 <param name="noise_for_empty_window" value="1e+20"/>
4184 <param name="write_log_messages" value="true"/>
4185 </section>
4186 </section>
4187 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
4188 <output name="ctd_out" ftype="xml">
4189 <assert_contents>
4190 <is_valid_xml/>
4191 </assert_contents>
4192 </output>
4193 </test>
4194 <!-- TOPP_FileFilter_38 -->
4195 <test expect_num_outputs="2">
4196 <section name="adv_opts">
4197 <param name="force" value="false"/>
4198 <param name="test" value="true"/>
4199 </section>
4200 <param name="in" value="FileFilter_1_input.mzML"/>
4201 <output name="out" file="FileFilter_38_output.mzML" compare="sim_size" delta_frac="0.7" ftype="mzml"/>
4202 <param name="out_type" value="mzML"/>
4203 <param name="rt" value=":"/>
4204 <param name="mz" value=":"/>
4205 <param name="int" value=":"/>
4206 <param name="sort" value="false"/>
4207 <section name="peak_options">
4208 <param name="sn" value="0.0"/>
4209 <param name="rm_pc_charge" value=""/>
4210 <param name="pc_mz_range" value=":"/>
4211 <param name="pc_mz_list" value=""/>
4212 <param name="level" value="1 2 3"/>
4213 <param name="sort_peaks" value="false"/>
4214 <param name="no_chromatograms" value="false"/>
4215 <param name="remove_chromatograms" value="false"/>
4216 <param name="remove_empty" value="false"/>
4217 <param name="mz_precision" value="64"/>
4218 <param name="int_precision" value="32"/>
4219 <param name="indexed_file" value="true"/>
4220 <param name="zlib_compression" value="false"/>
4221 <section name="numpress">
4222 <param name="masstime" value="linear"/>
4223 <param name="lossy_mass_accuracy" value="0.0001"/>
4224 <param name="intensity" value="pic"/>
4225 <param name="float_da" value="none"/>
4226 </section>
4227 </section>
4228 <section name="spectra">
4229 <param name="remove_zoom" value="false"/>
4230 <param name="remove_mode"/>
4231 <param name="remove_activation"/>
4232 <param name="remove_collision_energy" value=":"/>
4233 <param name="remove_isolation_window_width" value=":"/>
4234 <param name="select_zoom" value="false"/>
4235 <param name="select_mode"/>
4236 <param name="select_activation"/>
4237 <param name="select_collision_energy" value=":"/>
4238 <param name="select_isolation_window_width" value=":"/>
4239 <param name="select_polarity"/>
4240 <param name="replace_pc_charge" value=":"/>
4241 <section name="blackorwhitelist">
4242 <param name="similarity_threshold" value="-1.0"/>
4243 <param name="rt" value="0.01"/>
4244 <param name="mz" value="0.01"/>
4245 <param name="use_ppm_tolerance" value="false"/>
4246 <param name="blacklist" value="true"/>
4247 </section>
4248 </section>
4249 <section name="feature">
4250 <param name="q" value=":"/>
4251 </section>
4252 <section name="consensus">
4253 <param name="map" value=""/>
4254 <param name="map_and" value="false"/>
4255 <section name="blackorwhitelist">
4256 <param name="blacklist" value="true"/>
4257 <param name="maps" value=""/>
4258 <param name="rt" value="60.0"/>
4259 <param name="mz" value="0.01"/>
4260 <param name="use_ppm_tolerance" value="false"/>
4261 </section>
4262 </section>
4263 <section name="f_and_c">
4264 <param name="charge" value=":"/>
4265 <param name="size" value=":"/>
4266 <param name="remove_meta" value=""/>
4267 </section>
4268 <section name="id">
4269 <param name="remove_clashes" value="false"/>
4270 <param name="keep_best_score_id" value="false"/>
4271 <param name="sequences_whitelist" value=""/>
4272 <param name="sequence_comparison_method" value="substring"/>
4273 <param name="accessions_whitelist" value=""/>
4274 <param name="remove_annotated_features" value="false"/>
4275 <param name="remove_unannotated_features" value="false"/>
4276 <param name="remove_unassigned_ids" value="false"/>
4277 <param name="rt" value="0.1"/>
4278 <param name="mz" value="0.001"/>
4279 <param name="blacklist_imperfect" value="false"/>
4280 </section>
4281 <section name="algorithm">
4282 <section name="SignalToNoise">
4283 <param name="max_intensity" value="-1"/>
4284 <param name="auto_max_stdev_factor" value="3.0"/>
4285 <param name="auto_max_percentile" value="95"/>
4286 <param name="auto_mode" value="0"/>
4287 <param name="win_len" value="200.0"/>
4288 <param name="bin_count" value="30"/>
4289 <param name="min_required_elements" value="10"/>
4290 <param name="noise_for_empty_window" value="1e+20"/>
4291 <param name="write_log_messages" value="true"/>
4292 </section>
4293 </section>
4294 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
4295 <output name="ctd_out" ftype="xml">
4296 <assert_contents>
4297 <is_valid_xml/>
4298 </assert_contents>
4299 </output>
4300 </test>
4301 <!-- TOPP_FileFilter_40 -->
4302 <test expect_num_outputs="2">
4303 <section name="adv_opts">
4304 <param name="force" value="false"/>
4305 <param name="test" value="true"/>
4306 </section>
4307 <param name="in" value="FileFilter_40_input.mzML"/>
4308 <output name="out" file="FileFilter_40_output.mzML" compare="sim_size" delta_frac="0.7" ftype="mzml"/>
4309 <param name="out_type" value="mzML"/>
4310 <param name="rt" value=":"/>
4311 <param name="mz" value=":"/>
4312 <param name="int" value=":"/>
4313 <param name="sort" value="false"/>
4314 <section name="peak_options">
4315 <param name="sn" value="0.0"/>
4316 <param name="rm_pc_charge" value=""/>
4317 <param name="pc_mz_range" value=":"/>
4318 <param name="pc_mz_list" value=""/>
4319 <param name="level" value="1 2 3"/>
4320 <param name="sort_peaks" value="false"/>
4321 <param name="no_chromatograms" value="false"/>
4322 <param name="remove_chromatograms" value="false"/>
4323 <param name="remove_empty" value="false"/>
4324 <param name="mz_precision" value="64"/>
4325 <param name="int_precision" value="32"/>
4326 <param name="indexed_file" value="true"/>
4327 <param name="zlib_compression" value="false"/>
4328 <section name="numpress">
4329 <param name="masstime" value="none"/>
4330 <param name="lossy_mass_accuracy" value="-1.0"/>
4331 <param name="intensity" value="none"/>
4332 <param name="float_da" value="none"/>
4333 </section>
4334 </section>
4335 <section name="spectra">
4336 <param name="remove_zoom" value="false"/>
4337 <param name="remove_mode"/>
4338 <param name="remove_activation"/>
4339 <param name="remove_collision_energy" value=":"/>
4340 <param name="remove_isolation_window_width" value=":"/>
4341 <param name="select_zoom" value="false"/>
4342 <param name="select_mode"/>
4343 <param name="select_activation"/>
4344 <param name="select_collision_energy" value=":"/>
4345 <param name="select_isolation_window_width" value=":"/>
4346 <param name="select_polarity" value="positive"/>
4347 <param name="replace_pc_charge" value=":"/>
4348 <section name="blackorwhitelist">
4349 <param name="similarity_threshold" value="-1.0"/>
4350 <param name="rt" value="0.01"/>
4351 <param name="mz" value="0.01"/>
4352 <param name="use_ppm_tolerance" value="false"/>
4353 <param name="blacklist" value="true"/>
4354 </section>
4355 </section>
4356 <section name="feature">
4357 <param name="q" value=":"/>
4358 </section>
4359 <section name="consensus">
4360 <param name="map" value=""/>
4361 <param name="map_and" value="false"/>
4362 <section name="blackorwhitelist">
4363 <param name="blacklist" value="true"/>
4364 <param name="maps" value=""/>
4365 <param name="rt" value="60.0"/>
4366 <param name="mz" value="0.01"/>
4367 <param name="use_ppm_tolerance" value="false"/>
4368 </section>
4369 </section>
4370 <section name="f_and_c">
4371 <param name="charge" value=":"/>
4372 <param name="size" value=":"/>
4373 <param name="remove_meta" value=""/>
4374 </section>
4375 <section name="id">
4376 <param name="remove_clashes" value="false"/>
4377 <param name="keep_best_score_id" value="false"/>
4378 <param name="sequences_whitelist" value=""/>
4379 <param name="sequence_comparison_method" value="substring"/>
4380 <param name="accessions_whitelist" value=""/>
4381 <param name="remove_annotated_features" value="false"/>
4382 <param name="remove_unannotated_features" value="false"/>
4383 <param name="remove_unassigned_ids" value="false"/>
4384 <param name="rt" value="0.1"/>
4385 <param name="mz" value="0.001"/>
4386 <param name="blacklist_imperfect" value="false"/>
4387 </section>
4388 <section name="algorithm">
4389 <section name="SignalToNoise">
4390 <param name="max_intensity" value="-1"/>
4391 <param name="auto_max_stdev_factor" value="3.0"/>
4392 <param name="auto_max_percentile" value="95"/>
4393 <param name="auto_mode" value="0"/>
4394 <param name="win_len" value="200.0"/>
4395 <param name="bin_count" value="30"/>
4396 <param name="min_required_elements" value="10"/>
4397 <param name="noise_for_empty_window" value="1e+20"/>
4398 <param name="write_log_messages" value="true"/>
4399 </section>
4400 </section>
4401 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
4402 <output name="ctd_out" ftype="xml">
4403 <assert_contents>
4404 <is_valid_xml/>
4405 </assert_contents>
4406 </output>
4407 </test>
4408 <!-- TOPP_FileFilter_41 -->
4409 <test expect_num_outputs="2">
4410 <section name="adv_opts">
4411 <param name="force" value="false"/>
4412 <param name="test" value="true"/>
4413 </section>
4414 <param name="in" value="FileFilter_40_input.mzML"/>
4415 <output name="out" file="FileFilter_41_output.mzML" compare="sim_size" delta_frac="0.7" ftype="mzml"/>
4416 <param name="out_type" value="mzML"/>
4417 <param name="rt" value=":"/>
4418 <param name="mz" value=":"/>
4419 <param name="int" value=":"/>
4420 <param name="sort" value="false"/>
4421 <section name="peak_options">
4422 <param name="sn" value="0.0"/>
4423 <param name="rm_pc_charge" value=""/>
4424 <param name="pc_mz_range" value=":"/>
4425 <param name="pc_mz_list" value=""/>
4426 <param name="level" value="1 2 3"/>
4427 <param name="sort_peaks" value="false"/>
4428 <param name="no_chromatograms" value="false"/>
4429 <param name="remove_chromatograms" value="false"/>
4430 <param name="remove_empty" value="false"/>
4431 <param name="mz_precision" value="64"/>
4432 <param name="int_precision" value="32"/>
4433 <param name="indexed_file" value="true"/>
4434 <param name="zlib_compression" value="false"/>
4435 <section name="numpress">
4436 <param name="masstime" value="none"/>
4437 <param name="lossy_mass_accuracy" value="-1.0"/>
4438 <param name="intensity" value="none"/>
4439 <param name="float_da" value="none"/>
4440 </section>
4441 </section>
4442 <section name="spectra">
4443 <param name="remove_zoom" value="false"/>
4444 <param name="remove_mode"/>
4445 <param name="remove_activation"/>
4446 <param name="remove_collision_energy" value=":"/>
4447 <param name="remove_isolation_window_width" value=":"/>
4448 <param name="select_zoom" value="false"/>
4449 <param name="select_mode"/>
4450 <param name="select_activation"/>
4451 <param name="select_collision_energy" value=":"/>
4452 <param name="select_isolation_window_width" value=":"/>
4453 <param name="select_polarity" value="negative"/>
4454 <param name="replace_pc_charge" value=":"/>
4455 <section name="blackorwhitelist">
4456 <param name="similarity_threshold" value="-1.0"/>
4457 <param name="rt" value="0.01"/>
4458 <param name="mz" value="0.01"/>
4459 <param name="use_ppm_tolerance" value="false"/>
4460 <param name="blacklist" value="true"/>
4461 </section>
4462 </section>
4463 <section name="feature">
4464 <param name="q" value=":"/>
4465 </section>
4466 <section name="consensus">
4467 <param name="map" value=""/>
4468 <param name="map_and" value="false"/>
4469 <section name="blackorwhitelist">
4470 <param name="blacklist" value="true"/>
4471 <param name="maps" value=""/>
4472 <param name="rt" value="60.0"/>
4473 <param name="mz" value="0.01"/>
4474 <param name="use_ppm_tolerance" value="false"/>
4475 </section>
4476 </section>
4477 <section name="f_and_c">
4478 <param name="charge" value=":"/>
4479 <param name="size" value=":"/>
4480 <param name="remove_meta" value=""/>
4481 </section>
4482 <section name="id">
4483 <param name="remove_clashes" value="false"/>
4484 <param name="keep_best_score_id" value="false"/>
4485 <param name="sequences_whitelist" value=""/>
4486 <param name="sequence_comparison_method" value="substring"/>
4487 <param name="accessions_whitelist" value=""/>
4488 <param name="remove_annotated_features" value="false"/>
4489 <param name="remove_unannotated_features" value="false"/>
4490 <param name="remove_unassigned_ids" value="false"/>
4491 <param name="rt" value="0.1"/>
4492 <param name="mz" value="0.001"/>
4493 <param name="blacklist_imperfect" value="false"/>
4494 </section>
4495 <section name="algorithm">
4496 <section name="SignalToNoise">
4497 <param name="max_intensity" value="-1"/>
4498 <param name="auto_max_stdev_factor" value="3.0"/>
4499 <param name="auto_max_percentile" value="95"/>
4500 <param name="auto_mode" value="0"/>
4501 <param name="win_len" value="200.0"/>
4502 <param name="bin_count" value="30"/>
4503 <param name="min_required_elements" value="10"/>
4504 <param name="noise_for_empty_window" value="1e+20"/>
4505 <param name="write_log_messages" value="true"/>
4506 </section>
4507 </section>
4508 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
4509 <output name="ctd_out" ftype="xml">
4510 <assert_contents>
4511 <is_valid_xml/>
4512 </assert_contents>
4513 </output>
4514 </test>
4515 <!-- TOPP_FileFilter_42 -->
4516 <test expect_num_outputs="2">
4517 <section name="adv_opts">
4518 <param name="force" value="false"/>
4519 <param name="test" value="true"/>
4520 </section>
4521 <param name="in" value="FileFilter_40_input.mzML"/>
4522 <output name="out" file="FileFilter_42_output.mzML" compare="sim_size" delta_frac="0.7" ftype="mzml"/>
4523 <param name="out_type" value="mzML"/>
4524 <param name="rt" value=":"/>
4525 <param name="mz" value=":"/>
4526 <param name="int" value=":"/>
4527 <param name="sort" value="false"/>
4528 <section name="peak_options">
4529 <param name="sn" value="0.0"/>
4530 <param name="rm_pc_charge" value=""/>
4531 <param name="pc_mz_range" value=":"/>
4532 <param name="pc_mz_list" value=""/>
4533 <param name="level" value="1 2 3"/>
4534 <param name="sort_peaks" value="false"/>
4535 <param name="no_chromatograms" value="false"/>
4536 <param name="remove_chromatograms" value="false"/>
4537 <param name="remove_empty" value="false"/>
4538 <param name="mz_precision" value="64"/>
4539 <param name="int_precision" value="32"/>
4540 <param name="indexed_file" value="true"/>
4541 <param name="zlib_compression" value="false"/>
4542 <section name="numpress">
4543 <param name="masstime" value="none"/>
4544 <param name="lossy_mass_accuracy" value="-1.0"/>
4545 <param name="intensity" value="none"/>
4546 <param name="float_da" value="none"/>
4547 </section>
4548 </section>
4549 <section name="spectra">
4550 <param name="remove_zoom" value="false"/>
4551 <param name="remove_mode"/>
4552 <param name="remove_activation"/>
4553 <param name="remove_collision_energy" value=":"/>
4554 <param name="remove_isolation_window_width" value=":"/>
4555 <param name="select_zoom" value="false"/>
4556 <param name="select_mode"/>
4557 <param name="select_activation"/>
4558 <param name="select_collision_energy" value=":"/>
4559 <param name="select_isolation_window_width" value=":"/>
4560 <param name="select_polarity"/>
4561 <param name="replace_pc_charge" value=":"/>
4562 <section name="blackorwhitelist">
4563 <param name="similarity_threshold" value="-1.0"/>
4564 <param name="rt" value="0.01"/>
4565 <param name="mz" value="0.01"/>
4566 <param name="use_ppm_tolerance" value="false"/>
4567 <param name="blacklist" value="true"/>
4568 </section>
4569 </section>
4570 <section name="feature">
4571 <param name="q" value=":"/>
4572 </section>
4573 <section name="consensus">
4574 <param name="map" value=""/>
4575 <param name="map_and" value="false"/>
4576 <section name="blackorwhitelist">
4577 <param name="blacklist" value="true"/>
4578 <param name="maps" value=""/>
4579 <param name="rt" value="60.0"/>
4580 <param name="mz" value="0.01"/>
4581 <param name="use_ppm_tolerance" value="false"/>
4582 </section>
4583 </section>
4584 <section name="f_and_c">
4585 <param name="charge" value=":"/>
4586 <param name="size" value=":"/>
4587 <param name="remove_meta" value=""/>
4588 </section>
4589 <section name="id">
4590 <param name="remove_clashes" value="false"/>
4591 <param name="keep_best_score_id" value="false"/>
4592 <param name="sequences_whitelist" value=""/>
4593 <param name="sequence_comparison_method" value="substring"/>
4594 <param name="accessions_whitelist" value=""/>
4595 <param name="remove_annotated_features" value="false"/>
4596 <param name="remove_unannotated_features" value="false"/>
4597 <param name="remove_unassigned_ids" value="false"/>
4598 <param name="rt" value="0.1"/>
4599 <param name="mz" value="0.001"/>
4600 <param name="blacklist_imperfect" value="false"/>
4601 </section>
4602 <section name="algorithm">
4603 <section name="SignalToNoise">
4604 <param name="max_intensity" value="-1"/>
4605 <param name="auto_max_stdev_factor" value="3.0"/>
4606 <param name="auto_max_percentile" value="95"/>
4607 <param name="auto_mode" value="0"/>
4608 <param name="win_len" value="200.0"/>
4609 <param name="bin_count" value="30"/>
4610 <param name="min_required_elements" value="10"/>
4611 <param name="noise_for_empty_window" value="1e+20"/>
4612 <param name="write_log_messages" value="true"/>
4613 </section>
4614 </section>
4615 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
4616 <output name="ctd_out" ftype="xml">
4617 <assert_contents>
4618 <is_valid_xml/>
4619 </assert_contents>
4620 </output>
4621 </test>
4622 <!-- TOPP_FileFilter_43 -->
4623 <test expect_num_outputs="2">
4624 <section name="adv_opts">
4625 <param name="force" value="false"/>
4626 <param name="test" value="true"/>
4627 </section>
4628 <param name="in" value="FileFilter_43_input.mzML"/>
4629 <output name="out" file="FileFilter_43.tmp.mzML" compare="sim_size" delta_frac="0.7" ftype="mzml"/>
4630 <param name="out_type" value="mzML"/>
4631 <param name="rt" value=":"/>
4632 <param name="mz" value=":"/>
4633 <param name="int" value=":"/>
4634 <param name="sort" value="false"/>
4635 <section name="peak_options">
4636 <param name="sn" value="0.0"/>
4637 <param name="rm_pc_charge" value=""/>
4638 <param name="pc_mz_range" value=":"/>
4639 <param name="pc_mz_list" value=""/>
4640 <param name="level" value="1 2 3"/>
4641 <param name="sort_peaks" value="false"/>
4642 <param name="no_chromatograms" value="false"/>
4643 <param name="remove_chromatograms" value="false"/>
4644 <param name="remove_empty" value="false"/>
4645 <param name="mz_precision" value="64"/>
4646 <param name="int_precision" value="32"/>
4647 <param name="indexed_file" value="true"/>
4648 <param name="zlib_compression" value="false"/>
4649 <section name="numpress">
4650 <param name="masstime" value="none"/>
4651 <param name="lossy_mass_accuracy" value="-1.0"/>
4652 <param name="intensity" value="none"/>
4653 <param name="float_da" value="none"/>
4654 </section>
4655 </section>
4656 <section name="spectra">
4657 <param name="remove_zoom" value="false"/>
4658 <param name="remove_mode"/>
4659 <param name="remove_activation"/>
4660 <param name="remove_collision_energy" value=":"/>
4661 <param name="remove_isolation_window_width" value=":"/>
4662 <param name="select_zoom" value="false"/>
4663 <param name="select_mode"/>
4664 <param name="select_activation"/>
4665 <param name="select_collision_energy" value=":"/>
4666 <param name="select_isolation_window_width" value=":"/>
4667 <param name="select_polarity"/>
4668 <param name="replace_pc_charge" value=":"/>
4669 <section name="blackorwhitelist">
4670 <param name="similarity_threshold" value="-1.0"/>
4671 <param name="rt" value="0.01"/>
4672 <param name="mz" value="0.01"/>
4673 <param name="use_ppm_tolerance" value="false"/>
4674 <param name="blacklist" value="true"/>
4675 </section>
4676 </section>
4677 <section name="feature">
4678 <param name="q" value=":"/>
4679 </section>
4680 <section name="consensus">
4681 <param name="map" value=""/>
4682 <param name="map_and" value="false"/>
4683 <section name="blackorwhitelist">
4684 <param name="blacklist" value="true"/>
4685 <param name="maps" value=""/>
4686 <param name="rt" value="60.0"/>
4687 <param name="mz" value="0.01"/>
4688 <param name="use_ppm_tolerance" value="false"/>
4689 </section>
4690 </section>
4691 <section name="f_and_c">
4692 <param name="charge" value=":"/>
4693 <param name="size" value=":"/>
4694 <param name="remove_meta" value=""/>
4695 </section>
4696 <section name="id">
4697 <param name="remove_clashes" value="false"/>
4698 <param name="keep_best_score_id" value="false"/>
4699 <param name="sequences_whitelist" value=""/>
4700 <param name="sequence_comparison_method" value="substring"/>
4701 <param name="accessions_whitelist" value=""/>
4702 <param name="remove_annotated_features" value="false"/>
4703 <param name="remove_unannotated_features" value="false"/>
4704 <param name="remove_unassigned_ids" value="false"/>
4705 <param name="rt" value="0.1"/>
4706 <param name="mz" value="0.001"/>
4707 <param name="blacklist_imperfect" value="false"/>
4708 </section>
4709 <section name="algorithm">
4710 <section name="SignalToNoise">
4711 <param name="max_intensity" value="-1"/>
4712 <param name="auto_max_stdev_factor" value="3.0"/>
4713 <param name="auto_max_percentile" value="95"/>
4714 <param name="auto_mode" value="0"/>
4715 <param name="win_len" value="200.0"/>
4716 <param name="bin_count" value="30"/>
4717 <param name="min_required_elements" value="10"/>
4718 <param name="noise_for_empty_window" value="1e+20"/>
4719 <param name="write_log_messages" value="true"/>
4720 </section>
4721 </section>
4722 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
4723 <output name="ctd_out" ftype="xml">
4724 <assert_contents>
4725 <is_valid_xml/>
4726 </assert_contents>
4727 </output>
4728 </test>
4729 <!-- TOPP_FileFilter_43_read_again -->
4730 <test expect_num_outputs="2">
4731 <section name="adv_opts">
4732 <param name="force" value="false"/>
4733 <param name="test" value="true"/>
4734 </section>
4735 <param name="in" value="FileFilter_43.tmp.mzML"/>
4736 <output name="out" file="FileFilter_43.dummy.tmp" compare="sim_size" delta_frac="0.7"/>
4737 <param name="out_type" value="mzML"/>
4738 <param name="rt" value=":"/>
4739 <param name="mz" value=":"/>
4740 <param name="int" value=":"/>
4741 <param name="sort" value="false"/>
4742 <section name="peak_options">
4743 <param name="sn" value="0.0"/>
4744 <param name="rm_pc_charge" value=""/>
4745 <param name="pc_mz_range" value=":"/>
4746 <param name="pc_mz_list" value=""/>
4747 <param name="level" value="1 2 3"/>
4748 <param name="sort_peaks" value="false"/>
4749 <param name="no_chromatograms" value="false"/>
4750 <param name="remove_chromatograms" value="false"/>
4751 <param name="remove_empty" value="false"/>
4752 <param name="mz_precision" value="64"/>
4753 <param name="int_precision" value="32"/>
4754 <param name="indexed_file" value="true"/>
4755 <param name="zlib_compression" value="false"/>
4756 <section name="numpress">
4757 <param name="masstime" value="none"/>
4758 <param name="lossy_mass_accuracy" value="-1.0"/>
4759 <param name="intensity" value="none"/>
4760 <param name="float_da" value="none"/>
4761 </section>
4762 </section>
4763 <section name="spectra">
4764 <param name="remove_zoom" value="false"/>
4765 <param name="remove_mode"/>
4766 <param name="remove_activation"/>
4767 <param name="remove_collision_energy" value=":"/>
4768 <param name="remove_isolation_window_width" value=":"/>
4769 <param name="select_zoom" value="false"/>
4770 <param name="select_mode"/>
4771 <param name="select_activation"/>
4772 <param name="select_collision_energy" value=":"/>
4773 <param name="select_isolation_window_width" value=":"/>
4774 <param name="select_polarity"/>
4775 <param name="replace_pc_charge" value=":"/>
4776 <section name="blackorwhitelist">
4777 <param name="similarity_threshold" value="-1.0"/>
4778 <param name="rt" value="0.01"/>
4779 <param name="mz" value="0.01"/>
4780 <param name="use_ppm_tolerance" value="false"/>
4781 <param name="blacklist" value="true"/>
4782 </section>
4783 </section>
4784 <section name="feature">
4785 <param name="q" value=":"/>
4786 </section>
4787 <section name="consensus">
4788 <param name="map" value=""/>
4789 <param name="map_and" value="false"/>
4790 <section name="blackorwhitelist">
4791 <param name="blacklist" value="true"/>
4792 <param name="maps" value=""/>
4793 <param name="rt" value="60.0"/>
4794 <param name="mz" value="0.01"/>
4795 <param name="use_ppm_tolerance" value="false"/>
4796 </section>
4797 </section>
4798 <section name="f_and_c">
4799 <param name="charge" value=":"/>
4800 <param name="size" value=":"/>
4801 <param name="remove_meta" value=""/>
4802 </section>
4803 <section name="id">
4804 <param name="remove_clashes" value="false"/>
4805 <param name="keep_best_score_id" value="false"/>
4806 <param name="sequences_whitelist" value=""/>
4807 <param name="sequence_comparison_method" value="substring"/>
4808 <param name="accessions_whitelist" value=""/>
4809 <param name="remove_annotated_features" value="false"/>
4810 <param name="remove_unannotated_features" value="false"/>
4811 <param name="remove_unassigned_ids" value="false"/>
4812 <param name="rt" value="0.1"/>
4813 <param name="mz" value="0.001"/>
4814 <param name="blacklist_imperfect" value="false"/>
4815 </section>
4816 <section name="algorithm">
4817 <section name="SignalToNoise">
4818 <param name="max_intensity" value="-1"/>
4819 <param name="auto_max_stdev_factor" value="3.0"/>
4820 <param name="auto_max_percentile" value="95"/>
4821 <param name="auto_mode" value="0"/>
4822 <param name="win_len" value="200.0"/>
4823 <param name="bin_count" value="30"/>
4824 <param name="min_required_elements" value="10"/>
4825 <param name="noise_for_empty_window" value="1e+20"/>
4826 <param name="write_log_messages" value="true"/>
4827 </section>
4828 </section>
4829 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
4830 <output name="ctd_out" ftype="xml">
4831 <assert_contents>
4832 <is_valid_xml/>
4833 </assert_contents>
4834 </output>
4835 </test>
4836 <!-- TOPP_FileFilter_44 -->
4837 <test expect_num_outputs="2">
4838 <section name="adv_opts">
4839 <param name="force" value="false"/>
4840 <param name="test" value="true"/>
4841 </section>
4842 <param name="in" value="FileFilter_44_input.mzML"/>
4843 <output name="out" file="FileFilter_44_output.mzML" compare="sim_size" delta_frac="0.7" ftype="mzml"/>
4844 <param name="out_type" value="mzML"/>
4845 <param name="rt" value=":"/>
4846 <param name="mz" value=":"/>
4847 <param name="int" value=":"/>
4848 <param name="sort" value="false"/>
4849 <section name="peak_options">
4850 <param name="sn" value="0.0"/>
4851 <param name="rm_pc_charge" value=""/>
4852 <param name="pc_mz_range" value=":"/>
4853 <param name="pc_mz_list" value=""/>
4854 <param name="level" value="1 2 3"/>
4855 <param name="sort_peaks" value="false"/>
4856 <param name="no_chromatograms" value="false"/>
4857 <param name="remove_chromatograms" value="false"/>
4858 <param name="remove_empty" value="false"/>
4859 <param name="mz_precision" value="64"/>
4860 <param name="int_precision" value="32"/>
4861 <param name="indexed_file" value="true"/>
4862 <param name="zlib_compression" value="false"/>
4863 <section name="numpress">
4864 <param name="masstime" value="none"/>
4865 <param name="lossy_mass_accuracy" value="-1.0"/>
4866 <param name="intensity" value="none"/>
4867 <param name="float_da" value="none"/>
4868 </section>
4869 </section>
4870 <section name="spectra">
4871 <param name="remove_zoom" value="false"/>
4872 <param name="remove_mode"/>
4873 <param name="remove_activation"/>
4874 <param name="remove_collision_energy" value=":"/>
4875 <param name="remove_isolation_window_width" value=":"/>
4876 <param name="select_zoom" value="false"/>
4877 <param name="select_mode"/>
4878 <param name="select_activation"/>
4879 <param name="select_collision_energy" value=":"/>
4880 <param name="select_isolation_window_width" value=":"/>
4881 <param name="select_polarity"/>
4882 <param name="replace_pc_charge" value=":"/>
4883 <section name="blackorwhitelist">
4884 <param name="similarity_threshold" value="-1.0"/>
4885 <param name="rt" value="0.01"/>
4886 <param name="mz" value="0.01"/>
4887 <param name="use_ppm_tolerance" value="false"/>
4888 <param name="blacklist" value="true"/>
4889 </section>
4890 </section>
4891 <section name="feature">
4892 <param name="q" value=":"/>
4893 </section>
4894 <section name="consensus">
4895 <param name="map" value=""/>
4896 <param name="map_and" value="false"/>
4897 <section name="blackorwhitelist">
4898 <param name="blacklist" value="true"/>
4899 <param name="maps" value=""/>
4900 <param name="rt" value="60.0"/>
4901 <param name="mz" value="0.01"/>
4902 <param name="use_ppm_tolerance" value="false"/>
4903 </section>
4904 </section>
4905 <section name="f_and_c">
4906 <param name="charge" value=":"/>
4907 <param name="size" value=":"/>
4908 <param name="remove_meta" value=""/>
4909 </section>
4910 <section name="id">
4911 <param name="remove_clashes" value="false"/>
4912 <param name="keep_best_score_id" value="false"/>
4913 <param name="sequences_whitelist" value=""/>
4914 <param name="sequence_comparison_method" value="substring"/>
4915 <param name="accessions_whitelist" value=""/>
4916 <param name="remove_annotated_features" value="false"/>
4917 <param name="remove_unannotated_features" value="false"/>
4918 <param name="remove_unassigned_ids" value="false"/>
4919 <param name="rt" value="0.1"/>
4920 <param name="mz" value="0.001"/>
4921 <param name="blacklist_imperfect" value="false"/>
4922 </section>
4923 <section name="algorithm">
4924 <section name="SignalToNoise">
4925 <param name="max_intensity" value="-1"/>
4926 <param name="auto_max_stdev_factor" value="3.0"/>
4927 <param name="auto_max_percentile" value="95"/>
4928 <param name="auto_mode" value="0"/>
4929 <param name="win_len" value="200.0"/>
4930 <param name="bin_count" value="30"/>
4931 <param name="min_required_elements" value="10"/>
4932 <param name="noise_for_empty_window" value="1e+20"/>
4933 <param name="write_log_messages" value="true"/>
4934 </section>
4935 </section>
4936 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
4937 <output name="ctd_out" ftype="xml">
4938 <assert_contents>
4939 <is_valid_xml/>
4940 </assert_contents>
4941 </output>
4942 </test>
4943 <!-- TOPP_FileFilter_45 -->
4944 <test expect_num_outputs="2">
4945 <section name="adv_opts">
4946 <param name="force" value="false"/>
4947 <param name="test" value="true"/>
4948 </section>
4949 <param name="in" value="FileFilter_45_input.featureXML"/>
4950 <output name="out" file="FileFilter_45_output.featureXML" compare="sim_size" delta_frac="0.7" ftype="featurexml"/>
4951 <param name="out_type" value="featureXML"/>
4952 <param name="rt" value=":"/>
4953 <param name="mz" value=":"/>
4954 <param name="int" value=":"/>
4955 <param name="sort" value="false"/>
4956 <section name="peak_options">
4957 <param name="sn" value="0.0"/>
4958 <param name="rm_pc_charge" value=""/>
4959 <param name="pc_mz_range" value=":"/>
4960 <param name="pc_mz_list" value=""/>
4961 <param name="level" value="1 2 3"/>
4962 <param name="sort_peaks" value="false"/>
4963 <param name="no_chromatograms" value="false"/>
4964 <param name="remove_chromatograms" value="false"/>
4965 <param name="remove_empty" value="false"/>
4966 <param name="mz_precision" value="64"/>
4967 <param name="int_precision" value="32"/>
4968 <param name="indexed_file" value="true"/>
4969 <param name="zlib_compression" value="false"/>
4970 <section name="numpress">
4971 <param name="masstime" value="none"/>
4972 <param name="lossy_mass_accuracy" value="-1.0"/>
4973 <param name="intensity" value="none"/>
4974 <param name="float_da" value="none"/>
4975 </section>
4976 </section>
4977 <section name="spectra">
4978 <param name="remove_zoom" value="false"/>
4979 <param name="remove_mode"/>
4980 <param name="remove_activation"/>
4981 <param name="remove_collision_energy" value=":"/>
4982 <param name="remove_isolation_window_width" value=":"/>
4983 <param name="select_zoom" value="false"/>
4984 <param name="select_mode"/>
4985 <param name="select_activation"/>
4986 <param name="select_collision_energy" value=":"/>
4987 <param name="select_isolation_window_width" value=":"/>
4988 <param name="select_polarity"/>
4989 <param name="replace_pc_charge" value=":"/>
4990 <section name="blackorwhitelist">
4991 <param name="similarity_threshold" value="-1.0"/>
4992 <param name="rt" value="0.01"/>
4993 <param name="mz" value="0.01"/>
4994 <param name="use_ppm_tolerance" value="false"/>
4995 <param name="blacklist" value="true"/>
4996 </section>
4997 </section>
4998 <section name="feature">
4999 <param name="q" value=":"/>
5000 </section>
5001 <section name="consensus">
5002 <param name="map" value=""/>
5003 <param name="map_and" value="false"/>
5004 <section name="blackorwhitelist">
5005 <param name="blacklist" value="true"/>
5006 <param name="maps" value=""/>
5007 <param name="rt" value="60.0"/>
5008 <param name="mz" value="0.01"/>
5009 <param name="use_ppm_tolerance" value="false"/>
5010 </section>
5011 </section>
5012 <section name="f_and_c">
5013 <param name="charge" value=":"/>
5014 <param name="size" value=":"/>
5015 <param name="remove_meta" value=""/>
5016 </section>
5017 <section name="id">
5018 <param name="remove_clashes" value="false"/>
5019 <param name="keep_best_score_id" value="false"/>
5020 <param name="sequences_whitelist" value="&quot;YSFS&quot; &quot;STLIPPPSK(Label:13C(6)15N(2))&quot;"/>
5021 <param name="sequence_comparison_method" value="substring"/>
5022 <param name="accessions_whitelist" value=""/>
5023 <param name="remove_annotated_features" value="false"/>
5024 <param name="remove_unannotated_features" value="false"/>
5025 <param name="remove_unassigned_ids" value="false"/>
5026 <param name="rt" value="0.1"/>
5027 <param name="mz" value="0.001"/>
5028 <param name="blacklist_imperfect" value="false"/>
5029 </section>
5030 <section name="algorithm">
5031 <section name="SignalToNoise">
5032 <param name="max_intensity" value="-1"/>
5033 <param name="auto_max_stdev_factor" value="3.0"/>
5034 <param name="auto_max_percentile" value="95"/>
5035 <param name="auto_mode" value="0"/>
5036 <param name="win_len" value="200.0"/>
5037 <param name="bin_count" value="30"/>
5038 <param name="min_required_elements" value="10"/>
5039 <param name="noise_for_empty_window" value="1e+20"/>
5040 <param name="write_log_messages" value="true"/>
5041 </section>
5042 </section>
5043 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
5044 <output name="ctd_out" ftype="xml">
5045 <assert_contents>
5046 <is_valid_xml/>
5047 </assert_contents>
5048 </output>
5049 </test>
5050 <!-- TOPP_FileFilter_46 -->
5051 <test expect_num_outputs="2">
5052 <section name="adv_opts">
5053 <param name="force" value="false"/>
5054 <param name="test" value="true"/>
5055 </section>
5056 <param name="in" value="FileFilter_46_input.featureXML"/>
5057 <output name="out" file="FileFilter_46_output.featureXML" compare="sim_size" delta_frac="0.7" ftype="featurexml"/>
5058 <param name="out_type" value="featureXML"/>
5059 <param name="rt" value=":"/>
5060 <param name="mz" value=":"/>
5061 <param name="int" value=":"/>
5062 <param name="sort" value="false"/>
5063 <section name="peak_options">
5064 <param name="sn" value="0.0"/>
5065 <param name="rm_pc_charge" value=""/>
5066 <param name="pc_mz_range" value=":"/>
5067 <param name="pc_mz_list" value=""/>
5068 <param name="level" value="1 2 3"/>
5069 <param name="sort_peaks" value="false"/>
5070 <param name="no_chromatograms" value="false"/>
5071 <param name="remove_chromatograms" value="false"/>
5072 <param name="remove_empty" value="false"/>
5073 <param name="mz_precision" value="64"/>
5074 <param name="int_precision" value="32"/>
5075 <param name="indexed_file" value="true"/>
5076 <param name="zlib_compression" value="false"/>
5077 <section name="numpress">
5078 <param name="masstime" value="none"/>
5079 <param name="lossy_mass_accuracy" value="-1.0"/>
5080 <param name="intensity" value="none"/>
5081 <param name="float_da" value="none"/>
5082 </section>
5083 </section>
5084 <section name="spectra">
5085 <param name="remove_zoom" value="false"/>
5086 <param name="remove_mode"/>
5087 <param name="remove_activation"/>
5088 <param name="remove_collision_energy" value=":"/>
5089 <param name="remove_isolation_window_width" value=":"/>
5090 <param name="select_zoom" value="false"/>
5091 <param name="select_mode"/>
5092 <param name="select_activation"/>
5093 <param name="select_collision_energy" value=":"/>
5094 <param name="select_isolation_window_width" value=":"/>
5095 <param name="select_polarity"/>
5096 <param name="replace_pc_charge" value=":"/>
5097 <section name="blackorwhitelist">
5098 <param name="similarity_threshold" value="-1.0"/>
5099 <param name="rt" value="0.01"/>
5100 <param name="mz" value="0.01"/>
5101 <param name="use_ppm_tolerance" value="false"/>
5102 <param name="blacklist" value="true"/>
5103 </section>
5104 </section>
5105 <section name="feature">
5106 <param name="q" value=":"/>
5107 </section>
5108 <section name="consensus">
5109 <param name="map" value=""/>
5110 <param name="map_and" value="false"/>
5111 <section name="blackorwhitelist">
5112 <param name="blacklist" value="true"/>
5113 <param name="maps" value=""/>
5114 <param name="rt" value="60.0"/>
5115 <param name="mz" value="0.01"/>
5116 <param name="use_ppm_tolerance" value="false"/>
5117 </section>
5118 </section>
5119 <section name="f_and_c">
5120 <param name="charge" value=":"/>
5121 <param name="size" value=":"/>
5122 <param name="remove_meta" value=""/>
5123 </section>
5124 <section name="id">
5125 <param name="remove_clashes" value="false"/>
5126 <param name="keep_best_score_id" value="false"/>
5127 <param name="sequences_whitelist" value="&quot;YSFS&quot; &quot;STLIPPPSK(Label:13C(6)15N(2))&quot;"/>
5128 <param name="sequence_comparison_method" value="exact"/>
5129 <param name="accessions_whitelist" value=""/>
5130 <param name="remove_annotated_features" value="false"/>
5131 <param name="remove_unannotated_features" value="false"/>
5132 <param name="remove_unassigned_ids" value="false"/>
5133 <param name="rt" value="0.1"/>
5134 <param name="mz" value="0.001"/>
5135 <param name="blacklist_imperfect" value="false"/>
5136 </section>
5137 <section name="algorithm">
5138 <section name="SignalToNoise">
5139 <param name="max_intensity" value="-1"/>
5140 <param name="auto_max_stdev_factor" value="3.0"/>
5141 <param name="auto_max_percentile" value="95"/>
5142 <param name="auto_mode" value="0"/>
5143 <param name="win_len" value="200.0"/>
5144 <param name="bin_count" value="30"/>
5145 <param name="min_required_elements" value="10"/>
5146 <param name="noise_for_empty_window" value="1e+20"/>
5147 <param name="write_log_messages" value="true"/>
5148 </section>
5149 </section>
5150 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
5151 <output name="ctd_out" ftype="xml">
5152 <assert_contents>
5153 <is_valid_xml/>
5154 </assert_contents>
5155 </output>
5156 </test>
5157 <!-- TOPP_FileFilter_47 -->
5158 <test expect_num_outputs="2">
5159 <section name="adv_opts">
5160 <param name="force" value="false"/>
5161 <param name="test" value="true"/>
5162 </section>
5163 <param name="in" value="FileFilter_47_input.mzML"/>
5164 <output name="out" file="FileFilter_47_output.mzML" compare="sim_size" delta_frac="0.7" ftype="mzml"/>
5165 <param name="out_type" value="mzML"/>
5166 <param name="rt" value=":"/>
5167 <param name="mz" value=":"/>
5168 <param name="int" value=":"/>
5169 <param name="sort" value="false"/>
5170 <section name="peak_options">
5171 <param name="sn" value="0.0"/>
5172 <param name="rm_pc_charge" value=""/>
5173 <param name="pc_mz_range" value=":"/>
5174 <param name="pc_mz_list" value=""/>
5175 <param name="level" value="1 2 3"/>
5176 <param name="sort_peaks" value="false"/>
5177 <param name="no_chromatograms" value="false"/>
5178 <param name="remove_chromatograms" value="false"/>
5179 <param name="remove_empty" value="false"/>
5180 <param name="mz_precision" value="64"/>
5181 <param name="int_precision" value="32"/>
5182 <param name="indexed_file" value="true"/>
5183 <param name="zlib_compression" value="false"/>
5184 <section name="numpress">
5185 <param name="masstime" value="none"/>
5186 <param name="lossy_mass_accuracy" value="-1.0"/>
5187 <param name="intensity" value="none"/>
5188 <param name="float_da" value="none"/>
5189 </section>
5190 </section>
5191 <section name="spectra">
5192 <param name="remove_zoom" value="false"/>
5193 <param name="remove_mode"/>
5194 <param name="remove_activation"/>
5195 <param name="remove_collision_energy" value=":"/>
5196 <param name="remove_isolation_window_width" value=":"/>
5197 <param name="select_zoom" value="false"/>
5198 <param name="select_mode"/>
5199 <param name="select_activation"/>
5200 <param name="select_collision_energy" value=":"/>
5201 <param name="select_isolation_window_width" value=":"/>
5202 <param name="select_polarity"/>
5203 <param name="replace_pc_charge" value=":"/>
5204 <section name="blackorwhitelist">
5205 <param name="file" value="FileFilter_47_input_select.mzML"/>
5206 <param name="similarity_threshold" value="0.9"/>
5207 <param name="rt" value="0.01"/>
5208 <param name="mz" value="0.01"/>
5209 <param name="use_ppm_tolerance" value="false"/>
5210 <param name="blacklist" value="true"/>
5211 </section>
5212 </section>
5213 <section name="feature">
5214 <param name="q" value=":"/>
5215 </section>
5216 <section name="consensus">
5217 <param name="map" value=""/>
5218 <param name="map_and" value="false"/>
5219 <section name="blackorwhitelist">
5220 <param name="blacklist" value="true"/>
5221 <param name="maps" value=""/>
5222 <param name="rt" value="60.0"/>
5223 <param name="mz" value="0.01"/>
5224 <param name="use_ppm_tolerance" value="false"/>
5225 </section>
5226 </section>
5227 <section name="f_and_c">
5228 <param name="charge" value=":"/>
5229 <param name="size" value=":"/>
5230 <param name="remove_meta" value=""/>
5231 </section>
5232 <section name="id">
5233 <param name="remove_clashes" value="false"/>
5234 <param name="keep_best_score_id" value="false"/>
5235 <param name="sequences_whitelist" value=""/>
5236 <param name="sequence_comparison_method" value="substring"/>
5237 <param name="accessions_whitelist" value=""/>
5238 <param name="remove_annotated_features" value="false"/>
5239 <param name="remove_unannotated_features" value="false"/>
5240 <param name="remove_unassigned_ids" value="false"/>
5241 <param name="rt" value="0.1"/>
5242 <param name="mz" value="0.001"/>
5243 <param name="blacklist_imperfect" value="false"/>
5244 </section>
5245 <section name="algorithm">
5246 <section name="SignalToNoise">
5247 <param name="max_intensity" value="-1"/>
5248 <param name="auto_max_stdev_factor" value="3.0"/>
5249 <param name="auto_max_percentile" value="95"/>
5250 <param name="auto_mode" value="0"/>
5251 <param name="win_len" value="200.0"/>
5252 <param name="bin_count" value="30"/>
5253 <param name="min_required_elements" value="10"/>
5254 <param name="noise_for_empty_window" value="1e+20"/>
5255 <param name="write_log_messages" value="true"/>
5256 </section>
5257 </section>
5258 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
5259 <output name="ctd_out" ftype="xml">
5260 <assert_contents>
5261 <is_valid_xml/>
5262 </assert_contents>
5263 </output>
5264 </test>
5265 <!-- TOPP_FileFilter_48 -->
5266 <test expect_num_outputs="2">
5267 <section name="adv_opts">
5268 <param name="force" value="false"/>
5269 <param name="test" value="true"/>
5270 </section>
5271 <param name="in" value="FileFilter_47_input.mzML"/>
5272 <output name="out" file="FileFilter_48_output.mzML" compare="sim_size" delta_frac="0.7" ftype="mzml"/>
5273 <param name="out_type" value="mzML"/>
5274 <param name="rt" value=":"/>
5275 <param name="mz" value=":"/>
5276 <param name="int" value=":"/>
5277 <param name="sort" value="false"/>
5278 <section name="peak_options">
5279 <param name="sn" value="0.0"/>
5280 <param name="rm_pc_charge" value=""/>
5281 <param name="pc_mz_range" value=":"/>
5282 <param name="pc_mz_list" value=""/>
5283 <param name="level" value="1 2 3"/>
5284 <param name="sort_peaks" value="false"/>
5285 <param name="no_chromatograms" value="false"/>
5286 <param name="remove_chromatograms" value="false"/>
5287 <param name="remove_empty" value="false"/>
5288 <param name="mz_precision" value="64"/>
5289 <param name="int_precision" value="32"/>
5290 <param name="indexed_file" value="true"/>
5291 <param name="zlib_compression" value="false"/>
5292 <section name="numpress">
5293 <param name="masstime" value="none"/>
5294 <param name="lossy_mass_accuracy" value="-1.0"/>
5295 <param name="intensity" value="none"/>
5296 <param name="float_da" value="none"/>
5297 </section>
5298 </section>
5299 <section name="spectra">
5300 <param name="remove_zoom" value="false"/>
5301 <param name="remove_mode"/>
5302 <param name="remove_activation"/>
5303 <param name="remove_collision_energy" value=":"/>
5304 <param name="remove_isolation_window_width" value=":"/>
5305 <param name="select_zoom" value="false"/>
5306 <param name="select_mode"/>
5307 <param name="select_activation"/>
5308 <param name="select_collision_energy" value=":"/>
5309 <param name="select_isolation_window_width" value=":"/>
5310 <param name="select_polarity"/>
5311 <param name="replace_pc_charge" value=":"/>
5312 <section name="blackorwhitelist">
5313 <param name="file" value="FileFilter_47_input_select.mzML"/>
5314 <param name="similarity_threshold" value="0.9"/>
5315 <param name="rt" value="0.01"/>
5316 <param name="mz" value="0.01"/>
5317 <param name="use_ppm_tolerance" value="false"/>
5318 <param name="blacklist" value="false"/>
5319 </section>
5320 </section>
5321 <section name="feature">
5322 <param name="q" value=":"/>
5323 </section>
5324 <section name="consensus">
5325 <param name="map" value=""/>
5326 <param name="map_and" value="false"/>
5327 <section name="blackorwhitelist">
5328 <param name="blacklist" value="true"/>
5329 <param name="maps" value=""/>
5330 <param name="rt" value="60.0"/>
5331 <param name="mz" value="0.01"/>
5332 <param name="use_ppm_tolerance" value="false"/>
5333 </section>
5334 </section>
5335 <section name="f_and_c">
5336 <param name="charge" value=":"/>
5337 <param name="size" value=":"/>
5338 <param name="remove_meta" value=""/>
5339 </section>
5340 <section name="id">
5341 <param name="remove_clashes" value="false"/>
5342 <param name="keep_best_score_id" value="false"/>
5343 <param name="sequences_whitelist" value=""/>
5344 <param name="sequence_comparison_method" value="substring"/>
5345 <param name="accessions_whitelist" value=""/>
5346 <param name="remove_annotated_features" value="false"/>
5347 <param name="remove_unannotated_features" value="false"/>
5348 <param name="remove_unassigned_ids" value="false"/>
5349 <param name="rt" value="0.1"/>
5350 <param name="mz" value="0.001"/>
5351 <param name="blacklist_imperfect" value="false"/>
5352 </section>
5353 <section name="algorithm">
5354 <section name="SignalToNoise">
5355 <param name="max_intensity" value="-1"/>
5356 <param name="auto_max_stdev_factor" value="3.0"/>
5357 <param name="auto_max_percentile" value="95"/>
5358 <param name="auto_mode" value="0"/>
5359 <param name="win_len" value="200.0"/>
5360 <param name="bin_count" value="30"/>
5361 <param name="min_required_elements" value="10"/>
5362 <param name="noise_for_empty_window" value="1e+20"/>
5363 <param name="write_log_messages" value="true"/>
5364 </section>
5365 </section>
5366 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
5367 <output name="ctd_out" ftype="xml">
5368 <assert_contents>
5369 <is_valid_xml/>
5370 </assert_contents>
5371 </output>
5372 </test>
5373 <!-- TOPP_FileFilter_49 -->
5374 <test expect_num_outputs="2">
5375 <section name="adv_opts">
5376 <param name="force" value="false"/>
5377 <param name="test" value="true"/>
5378 </section>
5379 <param name="in" value="FileFilter_49_input.mzML"/>
5380 <output name="out" file="FileFilter_49_output.mzML" compare="sim_size" delta_frac="0.7" ftype="mzml"/>
5381 <param name="out_type" value="mzML"/>
5382 <param name="rt" value=":"/>
5383 <param name="mz" value=":"/>
5384 <param name="int" value=":"/>
5385 <param name="sort" value="false"/>
5386 <section name="peak_options">
5387 <param name="sn" value="0.0"/>
5388 <param name="rm_pc_charge" value=""/>
5389 <param name="pc_mz_range" value=":"/>
5390 <param name="pc_mz_list" value=""/>
5391 <param name="level" value="1 2 3"/>
5392 <param name="sort_peaks" value="false"/>
5393 <param name="no_chromatograms" value="false"/>
5394 <param name="remove_chromatograms" value="false"/>
5395 <param name="remove_empty" value="false"/>
5396 <param name="mz_precision" value="64"/>
5397 <param name="int_precision" value="32"/>
5398 <param name="indexed_file" value="true"/>
5399 <param name="zlib_compression" value="true"/>
5400 <section name="numpress">
5401 <param name="masstime" value="linear"/>
5402 <param name="lossy_mass_accuracy" value="-1.0"/>
5403 <param name="intensity" value="pic"/>
5404 <param name="float_da" value="slof"/>
5405 </section>
5406 </section>
5407 <section name="spectra">
5408 <param name="remove_zoom" value="false"/>
5409 <param name="remove_mode"/>
5410 <param name="remove_activation"/>
5411 <param name="remove_collision_energy" value=":"/>
5412 <param name="remove_isolation_window_width" value=":"/>
5413 <param name="select_zoom" value="false"/>
5414 <param name="select_mode"/>
5415 <param name="select_activation"/>
5416 <param name="select_collision_energy" value=":"/>
5417 <param name="select_isolation_window_width" value=":"/>
5418 <param name="select_polarity"/>
5419 <param name="replace_pc_charge" value=":"/>
5420 <section name="blackorwhitelist">
5421 <param name="similarity_threshold" value="-1.0"/>
5422 <param name="rt" value="0.01"/>
5423 <param name="mz" value="0.01"/>
5424 <param name="use_ppm_tolerance" value="false"/>
5425 <param name="blacklist" value="true"/>
5426 </section>
5427 </section>
5428 <section name="feature">
5429 <param name="q" value=":"/>
5430 </section>
5431 <section name="consensus">
5432 <param name="map" value=""/>
5433 <param name="map_and" value="false"/>
5434 <section name="blackorwhitelist">
5435 <param name="blacklist" value="true"/>
5436 <param name="maps" value=""/>
5437 <param name="rt" value="60.0"/>
5438 <param name="mz" value="0.01"/>
5439 <param name="use_ppm_tolerance" value="false"/>
5440 </section>
5441 </section>
5442 <section name="f_and_c">
5443 <param name="charge" value=":"/>
5444 <param name="size" value=":"/>
5445 <param name="remove_meta" value=""/>
5446 </section>
5447 <section name="id">
5448 <param name="remove_clashes" value="false"/>
5449 <param name="keep_best_score_id" value="false"/>
5450 <param name="sequences_whitelist" value=""/>
5451 <param name="sequence_comparison_method" value="substring"/>
5452 <param name="accessions_whitelist" value=""/>
5453 <param name="remove_annotated_features" value="false"/>
5454 <param name="remove_unannotated_features" value="false"/>
5455 <param name="remove_unassigned_ids" value="false"/>
5456 <param name="rt" value="0.1"/>
5457 <param name="mz" value="0.001"/>
5458 <param name="blacklist_imperfect" value="false"/>
5459 </section>
5460 <section name="algorithm">
5461 <section name="SignalToNoise">
5462 <param name="max_intensity" value="-1"/>
5463 <param name="auto_max_stdev_factor" value="3.0"/>
5464 <param name="auto_max_percentile" value="95"/>
5465 <param name="auto_mode" value="0"/>
5466 <param name="win_len" value="200.0"/>
5467 <param name="bin_count" value="30"/>
5468 <param name="min_required_elements" value="10"/>
5469 <param name="noise_for_empty_window" value="1e+20"/>
5470 <param name="write_log_messages" value="true"/>
5471 </section>
5472 </section>
5473 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
5474 <output name="ctd_out" ftype="xml">
5475 <assert_contents>
5476 <is_valid_xml/>
5477 </assert_contents>
5478 </output>
5479 </test>
340 </tests> 5480 </tests>
341 <help><![CDATA[Extracts or manipulates portions of data from peak, feature or consensus-feature files. 5481 <help><![CDATA[Extracts or manipulates portions of data from peak, feature or consensus-feature files.
342 5482
343 5483
344 For more information, visit http://www.openms.de/doxygen/release/2.6.0/html/TOPP_FileFilter.html]]></help> 5484 For more information, visit http://www.openms.de/doxygen/release/2.8.0/html/TOPP_FileFilter.html]]></help>
345 <expand macro="references"/> 5485 <expand macro="references"/>
346 </tool> 5486 </tool>