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comparison HighResPrecursorMassCorrector.xml @ 16:b606d4a12558 draft default tip

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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 5c080b1e2b99f1c88f4557e9fec8c45c9d23b906
author galaxyp
date Fri, 14 Jun 2024 21:40:04 +0000
parents d3546bb9fd8e
children
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15:d3546bb9fd8e 16:b606d4a12558
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.--> 1 <!--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: [Signal processing and preprocessing]--> 2 <!--Proposed Tool Section: [Mass Correction and Calibration]-->
4 <tool id="HighResPrecursorMassCorrector" name="HighResPrecursorMassCorrector" version="@TOOL_VERSION@+galaxy@VERSION_SUFFIX@" profile="21.05"> 3 <tool id="HighResPrecursorMassCorrector" name="HighResPrecursorMassCorrector" version="@TOOL_VERSION@+galaxy@VERSION_SUFFIX@" profile="21.05">
5 <description>Corrects the precursor mass and charge determined by the instrument software.</description> 4 <description>Corrects the precursor mass and charge determined by the instrument software</description>
6 <macros> 5 <macros>
7 <token name="@EXECUTABLE@">HighResPrecursorMassCorrector</token> 6 <token name="@EXECUTABLE@">HighResPrecursorMassCorrector</token>
8 <import>macros.xml</import> 7 <import>macros.xml</import>
9 </macros> 8 </macros>
10 <expand macro="requirements"/> 9 <expand macro="requirements"/>
13 @EXT_FOO@ 12 @EXT_FOO@
14 #import re 13 #import re
15 14
16 ## Preprocessing 15 ## Preprocessing
17 mkdir in && 16 mkdir in &&
18 ln -s '$in' 'in/${re.sub("[^\w\-_]", "_", $in.element_identifier)}.$gxy2omsext($in.ext)' && 17 cp '$in' 'in/${re.sub("[^\w\-_]", "_", $in.element_identifier)}.$gxy2omsext($in.ext)' &&
19 mkdir out && 18 mkdir out &&
20 #if "out_csv_FLAG" in str($OPTIONAL_OUTPUTS).split(',') 19 #if "out_csv_FLAG" in str($OPTIONAL_OUTPUTS).split(',')
21 mkdir out_csv && 20 mkdir out_csv &&
22 #end if 21 #end if
23 #if $feature.in: 22 #if $feature.in:
24 mkdir feature.in && 23 mkdir feature.in &&
25 ln -s '$feature.in' 'feature.in/${re.sub("[^\w\-_]", "_", $feature.in.element_identifier)}.$gxy2omsext($feature.in.ext)' && 24 cp '$feature.in' 'feature.in/${re.sub("[^\w\-_]", "_", $feature.in.element_identifier)}.$gxy2omsext($feature.in.ext)' &&
26 #end if 25 #end if
27 26
28 ## Main program call 27 ## Main program call
29 28
30 set -o pipefail && 29 set -o pipefail &&
58 <configfiles> 57 <configfiles>
59 <inputs name="args_json" data_style="paths"/> 58 <inputs name="args_json" data_style="paths"/>
60 <configfile name="hardcoded_json"><![CDATA[{"log": "log.txt", "threads": "\${GALAXY_SLOTS:-1}", "no_progress": true}]]></configfile> 59 <configfile name="hardcoded_json"><![CDATA[{"log": "log.txt", "threads": "\${GALAXY_SLOTS:-1}", "no_progress": true}]]></configfile>
61 </configfiles> 60 </configfiles>
62 <inputs> 61 <inputs>
63 <param argument="-in" type="data" format="mzml" optional="false" label="Input file (centroided data)" help=" select mzml data sets(s)"/> 62 <param argument="-in" type="data" format="mzml" label="Input file (centroided data)" help=" select mzml data sets(s)"/>
64 <section name="feature" title="Use features for precursor mass correction" help="" expanded="false"> 63 <section name="feature" title="Use features for precursor mass correction" help="" expanded="false">
65 <param name="in" argument="-feature:in" type="data" format="featurexml" optional="true" label="Features used to correct precursor masses" help=" select featurexml data sets(s)"/> 64 <param name="in" argument="-feature:in" type="data" format="featurexml" optional="true" label="Features used to correct precursor masses" help=" select featurexml data sets(s)"/>
66 <param name="mz_tolerance" argument="-feature:mz_tolerance" type="float" optional="true" value="5.0" label="The precursor mass tolerance" help="Used to determine matching to feature mass traces"/> 65 <param name="mz_tolerance" argument="-feature:mz_tolerance" type="float" value="5.0" label="The precursor mass tolerance" help="Used to determine matching to feature mass traces"/>
67 <param name="mz_tolerance_unit" argument="-feature:mz_tolerance_unit" type="select" optional="true" label="Unit of precursor mass tolerance" help=""> 66 <param name="mz_tolerance_unit" argument="-feature:mz_tolerance_unit" type="select" label="Unit of precursor mass tolerance" help="">
68 <option value="Da">Da</option> 67 <option value="Da">Da</option>
69 <option value="ppm" selected="true">ppm</option> 68 <option value="ppm" selected="true">ppm</option>
70 <expand macro="list_string_san" name="mz_tolerance_unit"/> 69 <expand macro="list_string_san" name="mz_tolerance_unit"/>
71 </param> 70 </param>
72 <param name="rt_tolerance" argument="-feature:rt_tolerance" type="float" optional="true" value="0.0" label="Additional retention time tolerance added to feature boundaries" help=""/> 71 <param name="rt_tolerance" argument="-feature:rt_tolerance" type="float" value="0.0" label="Additional retention time tolerance added to feature boundaries" help=""/>
73 <param name="max_trace" argument="-feature:max_trace" type="integer" optional="true" value="2" label="Maximum isotopic trace considered in matching a precursor to a feature" help=""/> 72 <param name="max_trace" argument="-feature:max_trace" type="integer" value="2" label="Maximum isotopic trace considered in matching a precursor to a feature" help=""/>
74 <param name="believe_charge" argument="-feature:believe_charge" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Assume precursor charge to be correct" help=""/> 73 <param name="believe_charge" argument="-feature:believe_charge" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Assume precursor charge to be correct" help=""/>
75 <param name="keep_original" argument="-feature:keep_original" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Make a copy of the precursor and MS2 (true) or discard the original (false)" help=""/> 74 <param name="keep_original" argument="-feature:keep_original" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Make a copy of the precursor and MS2 (true) or discard the original (false)" help=""/>
76 <param name="assign_all_matching" argument="-feature:assign_all_matching" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Correct a precursor using all matching features (true) or only the nearest (false)" help="Only evaluated if copies are created (feature:keep_original)"/> 75 <param name="assign_all_matching" argument="-feature:assign_all_matching" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Correct a precursor using all matching features (true) or only the nearest (false)" help="Only evaluated if copies are created (feature:keep_original)"/>
77 </section> 76 </section>
78 <section name="nearest_peak" title="Use nearest centroided MS1 peak for precursor mass correction" help="" expanded="false"> 77 <section name="nearest_peak" title="Use nearest centroided MS1 peak for precursor mass correction" help="" expanded="false">
79 <param name="mz_tolerance" argument="-nearest_peak:mz_tolerance" type="float" optional="true" value="0.0" label="The precursor mass tolerance to find the closest MS1 peak" help="(Disable method by setting value to 0.0)"/> 78 <param name="mz_tolerance" argument="-nearest_peak:mz_tolerance" type="float" value="0.0" label="The precursor mass tolerance to find the closest MS1 peak" help="(Disable method by setting value to 0.0)"/>
80 <param name="mz_tolerance_unit" argument="-nearest_peak:mz_tolerance_unit" type="select" optional="true" label="Unit of precursor mass tolerance" help=""> 79 <param name="mz_tolerance_unit" argument="-nearest_peak:mz_tolerance_unit" type="select" label="Unit of precursor mass tolerance" help="">
81 <option value="Da">Da</option> 80 <option value="Da">Da</option>
82 <option value="ppm" selected="true">ppm</option> 81 <option value="ppm" selected="true">ppm</option>
83 <expand macro="list_string_san" name="mz_tolerance_unit"/> 82 <expand macro="list_string_san" name="mz_tolerance_unit"/>
84 </param> 83 </param>
85 </section> 84 </section>
86 <section name="highest_intensity_peak" title="Use centroided MS1 peak with the highest intensity in a certrain mass range - for precursor mass correction" help="" expanded="false"> 85 <section name="highest_intensity_peak" title="Use centroided MS1 peak with the highest intensity in a certrain mass range - for precursor mass correction" help="" expanded="false">
87 <param name="mz_tolerance" argument="-highest_intensity_peak:mz_tolerance" type="float" optional="true" value="0.0" label="The precursor mass tolerance to find the highest intensity MS1 peak" help="Suggested value 1/max. expected charge. (Disable method by setting value to 0.0)"/> 86 <param name="mz_tolerance" argument="-highest_intensity_peak:mz_tolerance" type="float" value="0.0" label="The precursor mass tolerance to find the highest intensity MS1 peak" help="Suggested value 1/max. expected charge. (Disable method by setting value to 0.0)"/>
88 <param name="mz_tolerance_unit" argument="-highest_intensity_peak:mz_tolerance_unit" type="select" optional="true" label="Unit of precursor mass tolerance" help=""> 87 <param name="mz_tolerance_unit" argument="-highest_intensity_peak:mz_tolerance_unit" type="select" label="Unit of precursor mass tolerance" help="">
89 <option value="Da">Da</option> 88 <option value="Da">Da</option>
90 <option value="ppm" selected="true">ppm</option> 89 <option value="ppm" selected="true">ppm</option>
91 <expand macro="list_string_san" name="mz_tolerance_unit"/> 90 <expand macro="list_string_san" name="mz_tolerance_unit"/>
92 </param> 91 </param>
93 </section> 92 </section>
94 <expand macro="adv_opts_macro"> 93 <expand macro="adv_opts_macro">
95 <param argument="-force" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Overrides tool-specific checks" help=""/> 94 <param argument="-force" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Overrides tool-specific checks" help=""/>
96 <param argument="-test" type="hidden" optional="true" value="False" label="Enables the test mode (needed for internal use only)" help=""> 95 <param argument="-test" type="hidden" value="False" label="Enables the test mode (needed for internal use only)" help="" optional="true">
97 <expand macro="list_string_san" name="test"/> 96 <expand macro="list_string_san" name="test"/>
98 </param> 97 </param>
99 </expand> 98 </expand>
100 <param name="OPTIONAL_OUTPUTS" type="select" optional="true" multiple="true" label="Optional outputs"> 99 <param name="OPTIONAL_OUTPUTS" type="select" optional="true" multiple="true" label="Optional outputs">
101 <option value="out_csv_FLAG">out_csv (Optional CSV output file for results on 'nearest_peak' or 'highest_intensity_peak' algorithm (see corresponding subsection) containing columns: RT, uncorrectedMZ, correctedMZ, deltaMZ)</option> 100 <option value="out_csv_FLAG">out_csv (Optional CSV output file for results on 'nearest_peak' or 'highest_intensity_peak' algorithm (see corresponding subsection) containing columns: RT, uncorrectedMZ, correctedMZ, deltaMZ)</option>
109 </data> 108 </data>
110 <data name="ctd_out" format="xml" label="${tool.name} on ${on_string}: ctd"> 109 <data name="ctd_out" format="xml" label="${tool.name} on ${on_string}: ctd">
111 <filter>OPTIONAL_OUTPUTS is not None and "ctd_out_FLAG" in OPTIONAL_OUTPUTS</filter> 110 <filter>OPTIONAL_OUTPUTS is not None and "ctd_out_FLAG" in OPTIONAL_OUTPUTS</filter>
112 </data> 111 </data>
113 </outputs> 112 </outputs>
114 <tests><!-- TOPP_HighResPrecursorMassCorrector_1 --> 113 <tests>
114 <!-- TOPP_HighResPrecursorMassCorrector_1 -->
115 <test expect_num_outputs="2"> 115 <test expect_num_outputs="2">
116 <section name="adv_opts"> 116 <section name="adv_opts">
117 <param name="force" value="false"/> 117 <param name="force" value="false"/>
118 <param name="test" value="true"/> 118 <param name="test" value="true"/>
119 </section> 119 </section>
120 <param name="in" value="HighResPrecursorMassCorrector_2860_1103_3.mzML"/> 120 <param name="in" value="HighResPrecursorMassCorrector_2860_1103_3.mzML"/>
121 <output name="out" file="HighResPrecursorMassCorrector_2860_1103_3_out.mzML" compare="sim_size" delta_frac="0.7" ftype="mzml"/> 121 <output name="out" value="HighResPrecursorMassCorrector_2860_1103_3_out.mzML" compare="sim_size" delta_frac="0.7" ftype="mzml"/>
122 <section name="feature"> 122 <section name="feature">
123 <param name="in" value="HighResPrecursorMassCorrector_2860_1103_3.featureXML"/> 123 <param name="in" value="HighResPrecursorMassCorrector_2860_1103_3.featureXML"/>
124 <param name="mz_tolerance" value="5.0"/> 124 <param name="mz_tolerance" value="5.0"/>
125 <param name="mz_tolerance_unit" value="ppm"/> 125 <param name="mz_tolerance_unit" value="ppm"/>
126 <param name="rt_tolerance" value="0.0"/> 126 <param name="rt_tolerance" value="0.0"/>
141 <output name="ctd_out" ftype="xml"> 141 <output name="ctd_out" ftype="xml">
142 <assert_contents> 142 <assert_contents>
143 <is_valid_xml/> 143 <is_valid_xml/>
144 </assert_contents> 144 </assert_contents>
145 </output> 145 </output>
146 </test> 146 <assert_stdout>
147 <!-- TOPP_HighResPrecursorMassCorrector_2 --> 147 <has_text_matching expression="@EXECUTABLE@ took .* \(wall\), .* \(CPU\), .* \(system\), .* \(user\)(; Peak Memory Usage: 32 MB)?."/>
148 <test expect_num_outputs="2"> 148 </assert_stdout>
149 <section name="adv_opts">
150 <param name="force" value="false"/>
151 <param name="test" value="true"/>
152 </section>
153 <param name="in" value="HighResPrecursorMassCorrector_1035_1178_4.mzML"/>
154 <output name="out" file="HighResPrecursorMassCorrector_1035_1178_4_out.mzML" compare="sim_size" delta_frac="0.7" ftype="mzml"/>
155 <section name="feature">
156 <param name="in" value="HighResPrecursorMassCorrector_1035_1178_4.featureXML"/>
157 <param name="mz_tolerance" value="10.0"/>
158 <param name="mz_tolerance_unit" value="ppm"/>
159 <param name="rt_tolerance" value="0.0"/>
160 <param name="max_trace" value="4"/>
161 <param name="believe_charge" value="false"/>
162 <param name="keep_original" value="false"/>
163 <param name="assign_all_matching" value="false"/>
164 </section>
165 <section name="nearest_peak">
166 <param name="mz_tolerance" value="0.0"/>
167 <param name="mz_tolerance_unit" value="ppm"/>
168 </section>
169 <section name="highest_intensity_peak">
170 <param name="mz_tolerance" value="0.0"/>
171 <param name="mz_tolerance_unit" value="ppm"/>
172 </section>
173 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/>
174 <output name="ctd_out" ftype="xml">
175 <assert_contents>
176 <is_valid_xml/>
177 </assert_contents>
178 </output>
179 </test> 149 </test>
180 <!-- TOPP_HighResPrecursorMassCorrector_3 --> 150 <!-- TOPP_HighResPrecursorMassCorrector_3 -->
181 <test expect_num_outputs="2"> 151 <test expect_num_outputs="2">
182 <section name="adv_opts"> 152 <section name="adv_opts">
183 <param name="force" value="false"/> 153 <param name="force" value="false"/>
184 <param name="test" value="true"/> 154 <param name="test" value="true"/>
185 </section> 155 </section>
186 <param name="in" value="HighResPrecursorMassCorrector_2538_1091_2.mzML"/> 156 <param name="in" value="HighResPrecursorMassCorrector_2538_1091_2.mzML"/>
187 <output name="out" file="HighResPrecursorMassCorrector_2538_1091_2_out.mzML" compare="sim_size" delta_frac="0.7" ftype="mzml"/> 157 <output name="out" value="HighResPrecursorMassCorrector_2538_1091_2_out.mzML" compare="sim_size" delta_frac="0.7" ftype="mzml"/>
188 <section name="feature"> 158 <section name="feature">
189 <param name="in" value="HighResPrecursorMassCorrector_2538_1091_2.featureXML"/> 159 <param name="in" value="HighResPrecursorMassCorrector_2538_1091_2.featureXML"/>
190 <param name="mz_tolerance" value="5.0"/> 160 <param name="mz_tolerance" value="5.0"/>
191 <param name="mz_tolerance_unit" value="ppm"/> 161 <param name="mz_tolerance_unit" value="ppm"/>
192 <param name="rt_tolerance" value="0.0"/> 162 <param name="rt_tolerance" value="0.0"/>
207 <output name="ctd_out" ftype="xml"> 177 <output name="ctd_out" ftype="xml">
208 <assert_contents> 178 <assert_contents>
209 <is_valid_xml/> 179 <is_valid_xml/>
210 </assert_contents> 180 </assert_contents>
211 </output> 181 </output>
182 <assert_stdout>
183 <has_text_matching expression="@EXECUTABLE@ took .* \(wall\), .* \(CPU\), .* \(system\), .* \(user\)(; Peak Memory Usage: 32 MB)?."/>
184 </assert_stdout>
212 </test> 185 </test>
213 <!-- TOPP_HighResPrecursorMassCorrector_4 --> 186 <!-- TOPP_HighResPrecursorMassCorrector_4 -->
214 <test expect_num_outputs="2"> 187 <test expect_num_outputs="2">
215 <section name="adv_opts"> 188 <section name="adv_opts">
216 <param name="force" value="false"/> 189 <param name="force" value="false"/>
217 <param name="test" value="true"/> 190 <param name="test" value="true"/>
218 </section> 191 </section>
219 <param name="in" value="HighResPrecursorMassCorrector_2810_1091_3.mzML"/> 192 <param name="in" value="HighResPrecursorMassCorrector_2810_1091_3.mzML"/>
220 <output name="out" file="HighResPrecursorMassCorrector_2810_1091_3_out.mzML" compare="sim_size" delta_frac="0.7" ftype="mzml"/> 193 <output name="out" value="HighResPrecursorMassCorrector_2810_1091_3_out.mzML" compare="sim_size" delta_frac="0.7" ftype="mzml"/>
221 <section name="feature"> 194 <section name="feature">
222 <param name="in" value="HighResPrecursorMassCorrector_2810_1091_3.featureXML"/> 195 <param name="in" value="HighResPrecursorMassCorrector_2810_1091_3.featureXML"/>
223 <param name="mz_tolerance" value="5.0"/> 196 <param name="mz_tolerance" value="5.0"/>
224 <param name="mz_tolerance_unit" value="ppm"/> 197 <param name="mz_tolerance_unit" value="ppm"/>
225 <param name="rt_tolerance" value="0.0"/> 198 <param name="rt_tolerance" value="0.0"/>
240 <output name="ctd_out" ftype="xml"> 213 <output name="ctd_out" ftype="xml">
241 <assert_contents> 214 <assert_contents>
242 <is_valid_xml/> 215 <is_valid_xml/>
243 </assert_contents> 216 </assert_contents>
244 </output> 217 </output>
218 <assert_stdout>
219 <has_text_matching expression="@EXECUTABLE@ took .* \(wall\), .* \(CPU\), .* \(system\), .* \(user\)(; Peak Memory Usage: 32 MB)?."/>
220 </assert_stdout>
245 </test> 221 </test>
246 <!-- TOPP_HighResPrecursorMassCorrector_5 --> 222 <!-- TOPP_HighResPrecursorMassCorrector_5 -->
247 <test expect_num_outputs="2"> 223 <test expect_num_outputs="2">
248 <section name="adv_opts"> 224 <section name="adv_opts">
249 <param name="force" value="false"/> 225 <param name="force" value="false"/>
250 <param name="test" value="true"/> 226 <param name="test" value="true"/>
251 </section> 227 </section>
252 <param name="in" value="HighResPrecursorMassCorrector_3070_1191_3.mzML"/> 228 <param name="in" value="HighResPrecursorMassCorrector_3070_1191_3.mzML"/>
253 <output name="out" file="HighResPrecursorMassCorrector_3070_1191_3_out.mzML" compare="sim_size" delta_frac="0.7" ftype="mzml"/> 229 <output name="out" value="HighResPrecursorMassCorrector_3070_1191_3_out.mzML" compare="sim_size" delta_frac="0.7" ftype="mzml"/>
254 <section name="feature"> 230 <section name="feature">
255 <param name="in" value="HighResPrecursorMassCorrector_3070_1191_3.featureXML"/> 231 <param name="in" value="HighResPrecursorMassCorrector_3070_1191_3.featureXML"/>
256 <param name="mz_tolerance" value="5.0"/> 232 <param name="mz_tolerance" value="5.0"/>
257 <param name="mz_tolerance_unit" value="ppm"/> 233 <param name="mz_tolerance_unit" value="ppm"/>
258 <param name="rt_tolerance" value="0.0"/> 234 <param name="rt_tolerance" value="0.0"/>
273 <output name="ctd_out" ftype="xml"> 249 <output name="ctd_out" ftype="xml">
274 <assert_contents> 250 <assert_contents>
275 <is_valid_xml/> 251 <is_valid_xml/>
276 </assert_contents> 252 </assert_contents>
277 </output> 253 </output>
254 <assert_stdout>
255 <has_text_matching expression="@EXECUTABLE@ took .* \(wall\), .* \(CPU\), .* \(system\), .* \(user\)(; Peak Memory Usage: 32 MB)?."/>
256 </assert_stdout>
278 </test> 257 </test>
279 <!-- TOPP_HighResPrecursorMassCorrector_6 --> 258 <!-- TOPP_HighResPrecursorMassCorrector_6 -->
280 <test expect_num_outputs="2"> 259 <test expect_num_outputs="2">
281 <section name="adv_opts"> 260 <section name="adv_opts">
282 <param name="force" value="false"/> 261 <param name="force" value="false"/>
283 <param name="test" value="true"/> 262 <param name="test" value="true"/>
284 </section> 263 </section>
285 <param name="in" value="HighResPrecursorMassCorrector_6.mzML"/> 264 <param name="in" value="HighResPrecursorMassCorrector_6.mzML"/>
286 <output name="out" file="HighResPrecursorMassCorrector_6_out.mzML" compare="sim_size" delta_frac="0.7" ftype="mzml"/> 265 <output name="out" value="HighResPrecursorMassCorrector_6_out.mzML" compare="sim_size" delta_frac="0.7" ftype="mzml"/>
287 <section name="feature"> 266 <section name="feature">
288 <param name="mz_tolerance" value="5.0"/> 267 <param name="mz_tolerance" value="5.0"/>
289 <param name="mz_tolerance_unit" value="ppm"/> 268 <param name="mz_tolerance_unit" value="ppm"/>
290 <param name="rt_tolerance" value="0.0"/> 269 <param name="rt_tolerance" value="0.0"/>
291 <param name="max_trace" value="2"/> 270 <param name="max_trace" value="2"/>
305 <output name="ctd_out" ftype="xml"> 284 <output name="ctd_out" ftype="xml">
306 <assert_contents> 285 <assert_contents>
307 <is_valid_xml/> 286 <is_valid_xml/>
308 </assert_contents> 287 </assert_contents>
309 </output> 288 </output>
289 <assert_stdout>
290 <has_text_matching expression="@EXECUTABLE@ took .* \(wall\), .* \(CPU\), .* \(system\), .* \(user\)(; Peak Memory Usage: 32 MB)?."/>
291 </assert_stdout>
310 </test> 292 </test>
311 </tests> 293 </tests>
312 <help><![CDATA[Corrects the precursor mass and charge determined by the instrument software. 294 <help><![CDATA[Corrects the precursor mass and charge determined by the instrument software.
313 295
314 296
315 For more information, visit http://www.openms.de/doxygen/release/2.8.0/html/TOPP_HighResPrecursorMassCorrector.html]]></help> 297 For more information, visit https://openms.de/doxygen/release/3.1.0/html/TOPP_HighResPrecursorMassCorrector.html]]></help>
316 <expand macro="references"/> 298 <expand macro="references"/>
317 </tool> 299 </tool>