comparison FileFilter.xml @ 4:6ead64a594bd draft default tip

planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
author bgruening
date Wed, 27 Jan 2016 10:06:49 -0500
parents 3d84209d3178
children
comparison
equal deleted inserted replaced
3:ec62782f6c68 4:6ead64a594bd
1 <?xml version='1.0' encoding='UTF-8'?> 1 <?xml version="1.0" encoding="UTF-8"?>
2 <tool id="FileFilter" name="FileFilter" version="1.12.0"> 2 <!--This is a configuration file for the integration of a tools into Galaxy (https://galaxyproject.org/). This file was automatically generated using CTD2Galaxy.-->
3 <description>Extracts or manipulates portions of data from peak, feature or consensus-feature files.</description> 3 <!--Proposed Tool Section: [File Handling]-->
4 <macros> 4 <tool id="FileFilter" name="FileFilter" version="2.0.0">
5 <token name="@EXECUTABLE@">FileFilter</token> 5 <description>Extracts or manipulates portions of data from peak, feature or consensus-feature files.</description>
6 <import>macros.xml</import> 6 <macros>
7 </macros> 7 <token name="@EXECUTABLE@">FileFilter</token>
8 <expand macro="stdio"/> 8 <import>macros.xml</import>
9 <expand macro="requirements"/> 9 </macros>
10 <command>FileFilter 10 <expand macro="references"/>
11 11 <expand macro="stdio"/>
12 -in ${param_in} 12 <expand macro="requirements"/>
13 -in_type ${param_in_type} 13 <command>FileFilter
14 -out ${param_out} 14
15 -out_type ${param_out_type} 15 #if $param_in:
16 -rt ${param_rt} 16 -in $param_in
17 -mz ${param_mz} 17 #end if
18 -pc_mz ${param_pc_mz} 18 #if $param_out:
19 -int ${param_int} 19 -out $param_out
20 ${param_sort} 20 #end if
21 -threads \${GALAXY_SLOTS:-24} 21 #if $param_out_type:
22 -peak_options:sn ${param_sn} 22 -out_type
23 -peak_options:rm_pc_charge ${param_rm_pc_charge} 23 #if &quot; &quot; in str($param_out_type):
24 -peak_options:level ${param_level} 24 &quot;$param_out_type&quot;
25 ${param_sort_peaks} 25 #else
26 ${param_no_chromatograms} 26 $param_out_type
27 ${param_remove_chromatograms} 27 #end if
28 -peak_options:mz_precision ${param_mz_precision} 28 #end if
29 -peak_options:int_precision ${param_int_precision} 29 #if $param_rt:
30 ${param_indexed_file} 30 -rt &quot;$param_rt&quot;
31 -peak_options:numpress:masstime ${param_masstime} 31 #end if
32 -peak_options:numpress:masstime_error ${param_masstime_error} 32 #if $param_mz:
33 -peak_options:numpress:intensity ${param_intensity} 33 -mz &quot;$param_mz&quot;
34 -peak_options:numpress:intensity_error ${param_intensity_error} 34 #end if
35 ${param_remove_zoom} 35 #if $param_pc_mz:
36 -spectra:remove_mode ${param_remove_mode} 36 -pc_mz &quot;$param_pc_mz&quot;
37 -spectra:remove_activation ${param_remove_activation} 37 #end if
38 -spectra:remove_collision_energy ${param_remove_collision_energy} 38 #if $param_int:
39 -spectra:remove_isolation_window_width ${param_remove_isolation_window_width} 39 -int &quot;$param_int&quot;
40 ${param_select_zoom} 40 #end if
41 -spectra:select_mode ${param_select_mode} 41 #if $param_sort:
42 -spectra:select_activation ${param_select_activation} 42 -sort
43 -spectra:select_collision_energy ${param_select_collision_energy} 43 #end if
44 -spectra:select_isolation_window_width ${param_select_isolation_window_width} 44 -threads \${GALAXY_SLOTS:-24}
45 -spectra:select_polarity ${param_select_polarity} 45 #if $param_peak_options_sn:
46 -feature:q ${param_q} 46 -peak_options:sn $param_peak_options_sn
47 -consensus:map ${param_map} 47 #end if
48 ${param_map_and} 48
49 ${param_blacklist} 49 #if $rep_param_peak_options_rm_pc_charge:
50 -consensus:blackorwhitelist:file ${param_file} 50 -peak_options:rm_pc_charge
51 -consensus:blackorwhitelist:maps ${param_maps} 51 #for token in $rep_param_peak_options_rm_pc_charge:
52 -consensus:blackorwhitelist:rt ${param_rt} 52 #if &quot; &quot; in str(token):
53 -consensus:blackorwhitelist:mz ${param_mz} 53 &quot;$token.param_peak_options_rm_pc_charge&quot;
54 ${param_use_ppm_tolerance} 54 #else
55 -f_and_c:charge ${param_charge} 55 $token.param_peak_options_rm_pc_charge
56 -f_and_c:size ${param_size} 56 #end if
57 -f_and_c:remove_meta ${param_remove_meta} 57 #end for
58 ${param_keep_best_score_id} 58 #end if
59 -id:sequences_whitelist ${param_sequences_whitelist} 59
60 -id:accessions_whitelist ${param_accessions_whitelist} 60 #if $rep_param_peak_options_level:
61 ${param_remove_annotated_features} 61 -peak_options:level
62 ${param_remove_unannotated_features} 62 #for token in $rep_param_peak_options_level:
63 ${param_remove_unassigned_ids} 63 #if &quot; &quot; in str(token):
64 -id:blacklist ${param_blacklist} 64 &quot;$token.param_peak_options_level&quot;
65 -id:rt ${param_rt} 65 #else
66 -id:mz ${param_mz} 66 $token.param_peak_options_level
67 ${param_blacklist_imperfect} 67 #end if
68 -algorithm:SignalToNoise:win_len ${param_win_len} 68 #end for
69 -algorithm:SignalToNoise:bin_count ${param_bin_count} 69 #end if
70 -algorithm:SignalToNoise:min_required_elements ${param_min_required_elements} 70 #if $param_peak_options_sort_peaks:
71 -peak_options:sort_peaks
72 #end if
73 #if $param_peak_options_no_chromatograms:
74 -peak_options:no_chromatograms
75 #end if
76 #if $param_peak_options_remove_chromatograms:
77 -peak_options:remove_chromatograms
78 #end if
79 #if $param_peak_options_mz_precision:
80 -peak_options:mz_precision
81 #if &quot; &quot; in str($param_peak_options_mz_precision):
82 &quot;$param_peak_options_mz_precision&quot;
83 #else
84 $param_peak_options_mz_precision
85 #end if
86 #end if
87 #if $param_peak_options_int_precision:
88 -peak_options:int_precision
89 #if &quot; &quot; in str($param_peak_options_int_precision):
90 &quot;$param_peak_options_int_precision&quot;
91 #else
92 $param_peak_options_int_precision
93 #end if
94 #end if
95 #if $param_peak_options_indexed_file:
96 -peak_options:indexed_file
97 #end if
98 #if $param_peak_options_numpress_masstime:
99 -peak_options:numpress:masstime
100 #if &quot; &quot; in str($param_peak_options_numpress_masstime):
101 &quot;$param_peak_options_numpress_masstime&quot;
102 #else
103 $param_peak_options_numpress_masstime
104 #end if
105 #end if
106 #if $param_peak_options_numpress_masstime_error:
107 -peak_options:numpress:masstime_error $param_peak_options_numpress_masstime_error
108 #end if
109 #if $param_peak_options_numpress_intensity:
110 -peak_options:numpress:intensity
111 #if &quot; &quot; in str($param_peak_options_numpress_intensity):
112 &quot;$param_peak_options_numpress_intensity&quot;
113 #else
114 $param_peak_options_numpress_intensity
115 #end if
116 #end if
117 #if $param_peak_options_numpress_intensity_error:
118 -peak_options:numpress:intensity_error $param_peak_options_numpress_intensity_error
119 #end if
120 #if $param_spectra_remove_zoom:
121 -spectra:remove_zoom
122 #end if
123 #if $param_spectra_remove_mode:
124 -spectra:remove_mode
125 #if &quot; &quot; in str($param_spectra_remove_mode):
126 &quot;$param_spectra_remove_mode&quot;
127 #else
128 $param_spectra_remove_mode
129 #end if
130 #end if
131 #if $param_spectra_remove_activation:
132 -spectra:remove_activation
133 #if &quot; &quot; in str($param_spectra_remove_activation):
134 &quot;$param_spectra_remove_activation&quot;
135 #else
136 $param_spectra_remove_activation
137 #end if
138 #end if
139 #if $param_spectra_remove_collision_energy:
140 -spectra:remove_collision_energy &quot;$param_spectra_remove_collision_energy&quot;
141 #end if
142 #if $param_spectra_remove_isolation_window_width:
143 -spectra:remove_isolation_window_width &quot;$param_spectra_remove_isolation_window_width&quot;
144 #end if
145 #if $param_spectra_select_zoom:
146 -spectra:select_zoom
147 #end if
148 #if $param_spectra_select_mode:
149 -spectra:select_mode
150 #if &quot; &quot; in str($param_spectra_select_mode):
151 &quot;$param_spectra_select_mode&quot;
152 #else
153 $param_spectra_select_mode
154 #end if
155 #end if
156 #if $param_spectra_select_activation:
157 -spectra:select_activation
158 #if &quot; &quot; in str($param_spectra_select_activation):
159 &quot;$param_spectra_select_activation&quot;
160 #else
161 $param_spectra_select_activation
162 #end if
163 #end if
164 #if $param_spectra_select_collision_energy:
165 -spectra:select_collision_energy &quot;$param_spectra_select_collision_energy&quot;
166 #end if
167 #if $param_spectra_select_isolation_window_width:
168 -spectra:select_isolation_window_width &quot;$param_spectra_select_isolation_window_width&quot;
169 #end if
170 #if $param_spectra_select_polarity:
171 -spectra:select_polarity
172 #if &quot; &quot; in str($param_spectra_select_polarity):
173 &quot;$param_spectra_select_polarity&quot;
174 #else
175 $param_spectra_select_polarity
176 #end if
177 #end if
178 #if $param_feature_q:
179 -feature:q &quot;$param_feature_q&quot;
180 #end if
181
182 #if $rep_param_consensus_map:
183 -consensus:map
184 #for token in $rep_param_consensus_map:
185 #if &quot; &quot; in str(token):
186 &quot;$token.param_consensus_map&quot;
187 #else
188 $token.param_consensus_map
189 #end if
190 #end for
191 #end if
192 #if $param_consensus_map_and:
193 -consensus:map_and
194 #end if
195 #if $param_consensus_blackorwhitelist_blacklist:
196 -consensus:blackorwhitelist:blacklist
197 #end if
198 #if $param_consensus_blackorwhitelist_file:
199 -consensus:blackorwhitelist:file $param_consensus_blackorwhitelist_file
200 #end if
201
202 #if $rep_param_consensus_blackorwhitelist_maps:
203 -consensus:blackorwhitelist:maps
204 #for token in $rep_param_consensus_blackorwhitelist_maps:
205 #if &quot; &quot; in str(token):
206 &quot;$token.param_consensus_blackorwhitelist_maps&quot;
207 #else
208 $token.param_consensus_blackorwhitelist_maps
209 #end if
210 #end for
211 #end if
212 #if $param_consensus_blackorwhitelist_rt:
213 -consensus:blackorwhitelist:rt $param_consensus_blackorwhitelist_rt
214 #end if
215 #if $param_consensus_blackorwhitelist_mz:
216 -consensus:blackorwhitelist:mz $param_consensus_blackorwhitelist_mz
217 #end if
218 #if $param_consensus_blackorwhitelist_use_ppm_tolerance:
219 -consensus:blackorwhitelist:use_ppm_tolerance
220 #end if
221 #if $param_f_and_c_charge:
222 -f_and_c:charge &quot;$param_f_and_c_charge&quot;
223 #end if
224 #if $param_f_and_c_size:
225 -f_and_c:size &quot;$param_f_and_c_size&quot;
226 #end if
227
228 #if $rep_param_f_and_c_remove_meta:
229 -f_and_c:remove_meta
230 #for token in $rep_param_f_and_c_remove_meta:
231 #if &quot; &quot; in str(token):
232 &quot;$token.param_f_and_c_remove_meta&quot;
233 #else
234 $token.param_f_and_c_remove_meta
235 #end if
236 #end for
237 #end if
238 #if $param_id_keep_best_score_id:
239 -id:keep_best_score_id
240 #end if
241
242 #if $rep_param_id_sequences_whitelist:
243 -id:sequences_whitelist
244 #for token in $rep_param_id_sequences_whitelist:
245 #if &quot; &quot; in str(token):
246 &quot;$token.param_id_sequences_whitelist&quot;
247 #else
248 $token.param_id_sequences_whitelist
249 #end if
250 #end for
251 #end if
252
253 #if $rep_param_id_accessions_whitelist:
254 -id:accessions_whitelist
255 #for token in $rep_param_id_accessions_whitelist:
256 #if &quot; &quot; in str(token):
257 &quot;$token.param_id_accessions_whitelist&quot;
258 #else
259 $token.param_id_accessions_whitelist
260 #end if
261 #end for
262 #end if
263 #if $param_id_remove_annotated_features:
264 -id:remove_annotated_features
265 #end if
266 #if $param_id_remove_unannotated_features:
267 -id:remove_unannotated_features
268 #end if
269 #if $param_id_remove_unassigned_ids:
270 -id:remove_unassigned_ids
271 #end if
272 #if $param_id_blacklist:
273 -id:blacklist $param_id_blacklist
274 #end if
275 #if $param_id_rt:
276 -id:rt $param_id_rt
277 #end if
278 #if $param_id_mz:
279 -id:mz $param_id_mz
280 #end if
281 #if $param_id_blacklist_imperfect:
282 -id:blacklist_imperfect
283 #end if
284 #if $param_algorithm_SignalToNoise_win_len:
285 -algorithm:SignalToNoise:win_len $param_algorithm_SignalToNoise_win_len
286 #end if
287 #if $param_algorithm_SignalToNoise_bin_count:
288 -algorithm:SignalToNoise:bin_count $param_algorithm_SignalToNoise_bin_count
289 #end if
290 #if $param_algorithm_SignalToNoise_min_required_elements:
291 -algorithm:SignalToNoise:min_required_elements $param_algorithm_SignalToNoise_min_required_elements
292 #end if
293 #if $param_algorithm_SignalToNoise_write_log_messages:
294 -algorithm:SignalToNoise:write_log_messages
295 #end if
71 #if $adv_opts.adv_opts_selector=='advanced': 296 #if $adv_opts.adv_opts_selector=='advanced':
72 ${adv_opts.param_remove_clashes} 297 #if $adv_opts.param_force:
73 -algorithm:SignalToNoise:max_intensity ${adv_opts.param_max_intensity} 298 -force
74 -algorithm:SignalToNoise:auto_max_stdev_factor ${adv_opts.param_auto_max_stdev_factor} 299 #end if
75 -algorithm:SignalToNoise:auto_max_percentile ${adv_opts.param_auto_max_percentile} 300 #if $adv_opts.param_id_remove_clashes:
76 -algorithm:SignalToNoise:auto_mode ${adv_opts.param_auto_mode} 301 -id:remove_clashes
77 -algorithm:SignalToNoise:noise_for_empty_window ${adv_opts.param_noise_for_empty_window} 302 #end if
303 #if $adv_opts.param_algorithm_SignalToNoise_max_intensity:
304 -algorithm:SignalToNoise:max_intensity $adv_opts.param_algorithm_SignalToNoise_max_intensity
305 #end if
306 #if $adv_opts.param_algorithm_SignalToNoise_auto_max_stdev_factor:
307 -algorithm:SignalToNoise:auto_max_stdev_factor $adv_opts.param_algorithm_SignalToNoise_auto_max_stdev_factor
308 #end if
309 #if $adv_opts.param_algorithm_SignalToNoise_auto_max_percentile:
310 -algorithm:SignalToNoise:auto_max_percentile $adv_opts.param_algorithm_SignalToNoise_auto_max_percentile
311 #end if
312 #if $adv_opts.param_algorithm_SignalToNoise_auto_mode:
313 -algorithm:SignalToNoise:auto_mode $adv_opts.param_algorithm_SignalToNoise_auto_mode
314 #end if
315 #if $adv_opts.param_algorithm_SignalToNoise_noise_for_empty_window:
316 -algorithm:SignalToNoise:noise_for_empty_window $adv_opts.param_algorithm_SignalToNoise_noise_for_empty_window
317 #end if
78 #end if 318 #end if
79 </command> 319 </command>
80 <inputs> 320 <inputs>
81 <param name="param_in" type="data" format="mzML,featureXML,consensusXML" optional="False" label="Input file" help="(-in)"/> 321 <param format="xml,consensusxml,mzml" help="(-in) " label="Input file" name="param_in" optional="False" type="data"/>
82 <param name="param_in_type" type="select" optional="True" label="Input file type -- default: determined from file extension or content" help="(-in_type)"> 322 <param help="(-out_type) " label="Output file type -- default: determined from file extension or content" name="param_out_type" optional="True" type="select">
83 <option value="mzML">mzML</option> 323 <option value="mzML">mzML</option>
84 <option value="featureXML">featureXML</option> 324 <option value="featureXML">featureXML</option>
85 <option value="consensusXML">consensusXML</option> 325 <option value="consensusXML">consensusXML</option>
86 </param> 326 </param>
87 <param name="param_out_type" type="select" optional="True" label="Output file type -- default: determined from file extension or content" help="(-out_type)"> 327 <param help="(-rt) " label="Retention time range to extract" name="param_rt" size="30" type="text" value=":">
88 <option value="mzML">mzML</option> 328 <sanitizer>
89 <option value="featureXML">featureXML</option> 329 <valid initial="string.printable">
90 <option value="consensusXML">consensusXML</option> 330 <remove value="'"/>
91 </param> 331 <remove value="&quot;"/>
92 <param name="param_rt" type="text" size="20" value=":" label="Retention time range to extract" help="(-rt)"/> 332 </valid>
93 <param name="param_mz" type="text" size="20" value=":" label="m/z range to extract (applies to ALL ms levels!)" help="(-mz)"/> 333 </sanitizer>
94 <param name="param_pc_mz" type="text" size="20" value=":" label="MSn (n&gt;=2) precursor filtering according to their m/z value. 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." help="(-pc_mz)"/> 334 </param>
95 <param name="param_int" type="text" size="20" value=":" label="Intensity range to extract" help="(-int)"/> 335 <param help="(-mz) " label="m/z range to extract (applies to ALL ms levels!)" name="param_mz" size="30" type="text" value=":">
96 <param name="param_sort" type="boolean" truevalue="-sort true" falsevalue="-sort false" checked="false" optional="True" label="Sorts the output according to RT and m/z." help="(-sort)"/> 336 <sanitizer>
97 <param name="param_sn" type="float" value="0.0" label="Write peaks with S/N &gt; 'sn' values only" help="(-sn)"/> 337 <valid initial="string.printable">
98 <param name="param_rm_pc_charge" type="text" size="20" value="0" label="Remove MS(2) spectra with these precursor charges. All spectra without precursor are kept!" help="(-rm_pc_charge)"/> 338 <remove value="'"/>
99 <param name="param_level" type="text" size="20" value="1 2 3" label="MS levels to extract" help="(-level)"/> 339 <remove value="&quot;"/>
100 <param name="param_sort_peaks" type="boolean" truevalue="-peak_options:sort_peaks true" falsevalue="-peak_options:sort_peaks false" checked="false" optional="True" label="Sorts the peaks according to m/z" help="(-sort_peaks)"/> 340 </valid>
101 <param name="param_no_chromatograms" type="boolean" truevalue="-peak_options:no_chromatograms true" falsevalue="-peak_options:no_chromatograms false" checked="false" optional="True" label="No conversion to space-saving real chromatograms, e.g. from SRM scans" help="(-no_chromatograms)"/> 341 </sanitizer>
102 <param name="param_remove_chromatograms" type="boolean" truevalue="-peak_options:remove_chromatograms true" falsevalue="-peak_options:remove_chromatograms false" checked="false" optional="True" label="Removes chromatograms stored in a file" help="(-remove_chromatograms)"/> 342 </param>
103 <param name="param_mz_precision" type="select" optional="True" value="64" label="Store base64 encoded m/z data using 32 or 64 bit precision" help="(-mz_precision)"> 343 <param help="(-pc_mz) 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" label="MSn (n&gt;=2) precursor filtering according to their m/z value" name="param_pc_mz" size="30" type="text" value=":">
104 <option value="32">32</option> 344 <sanitizer>
105 <option value="64">64</option> 345 <valid initial="string.printable">
106 </param> 346 <remove value="'"/>
107 <param name="param_int_precision" type="select" optional="True" value="32" label="Store base64 encoded intensity data using 32 or 64 bit precision" help="(-int_precision)"> 347 <remove value="&quot;"/>
108 <option value="32">32</option> 348 </valid>
109 <option value="64">64</option> 349 </sanitizer>
110 </param> 350 </param>
111 <param name="param_indexed_file" type="boolean" truevalue="-peak_options:indexed_file true" falsevalue="-peak_options:indexed_file false" checked="false" optional="True" label="Whether to add an index to the file when writing" help="(-indexed_file)"/> 351 <param help="(-int) " label="Intensity range to extract" name="param_int" size="30" type="text" value=":">
112 <param name="param_masstime" type="select" optional="True" value="none" label="Apply MS Numpress compression algorithms in m/z or rt dimension (recommended: linear)" help="(-masstime)"> 352 <sanitizer>
113 <option value="none">none</option> 353 <valid initial="string.printable">
114 <option value="linear">linear</option> 354 <remove value="'"/>
115 <option value="pic">pic</option> 355 <remove value="&quot;"/>
116 <option value="slof">slof</option> 356 </valid>
117 </param> 357 </sanitizer>
118 <param name="param_masstime_error" type="float" value="0.0001" label="Maximal allowable error in m/z or rt dimension (set to 0.5 for pic)" help="(-masstime_error)"/> 358 </param>
119 <param name="param_intensity" type="select" optional="True" value="none" label="Apply MS Numpress compression algorithms in intensity dimension (recommended: slof or pic)" help="(-intensity)"> 359 <param checked="false" falsevalue="" help="(-sort) " label="Sorts the output according to RT and m/z" name="param_sort" optional="True" truevalue="-sort" type="boolean"/>
120 <option value="none">none</option> 360 <param help="(-sn) " label="Write peaks with S/N &gt; 'sn' values only" name="param_peak_options_sn" type="float" value="0.0"/>
121 <option value="linear">linear</option> 361 <repeat min="0" name="rep_param_peak_options_rm_pc_charge" title="param_peak_options_rm_pc_charge">
122 <option value="pic">pic</option> 362 <param help="(-rm_pc_charge) All spectra without precursor are kept!" label="Remove MS(2) spectra with these precursor charges" name="param_peak_options_rm_pc_charge" size="30" type="text" value="0">
123 <option value="slof">slof</option> 363 <sanitizer>
124 </param> 364 <valid initial="string.printable">
125 <param name="param_intensity_error" type="float" value="0.0001" label="Maximal allowable error in intensity dimension (set to 0.5 for pic)" help="(-intensity_error)"/> 365 <remove value="'"/>
126 <param name="param_remove_zoom" type="boolean" truevalue="-spectra:remove_zoom true" falsevalue="-spectra:remove_zoom false" checked="false" optional="True" label="Remove zoom (enhanced resolution) scans" help="(-remove_zoom)"/> 366 <remove value="&quot;"/>
127 <param name="param_remove_mode" type="select" optional="True" label="Remove scans by scan mode" help="(-remove_mode)"> 367 </valid>
128 <option value="Unknown">Unknown</option> 368 </sanitizer>
129 <option value="MassSpectrum">MassSpectrum</option> 369 </param>
130 <option value="MS1Spectrum">MS1Spectrum</option> 370 </repeat>
131 <option value="MSnSpectrum">MSnSpectrum</option> 371 <repeat max="1" min="0" name="rep_param_peak_options_level" title="param_peak_options_level">
132 <option value="SelectedIonMonitoring">SelectedIonMonitoring</option> 372 <param help="(-level) " label="MS levels to extract" name="param_peak_options_level" size="30" type="text" value="1 2 3">
133 <option value="SelectedReactionMonitoring">SelectedReactionMonitoring</option> 373 <sanitizer>
134 <option value="ConsecutiveReactionMonitoring">ConsecutiveReactionMonitoring</option> 374 <valid initial="string.printable">
135 <option value="ConstantNeutralGain">ConstantNeutralGain</option> 375 <remove value="'"/>
136 <option value="ConstantNeutralLoss">ConstantNeutralLoss</option> 376 <remove value="&quot;"/>
137 <option value="Precursor">Precursor</option> 377 </valid>
138 <option value="EnhancedMultiplyCharged">EnhancedMultiplyCharged</option> 378 </sanitizer>
139 <option value="TimeDelayedFragmentation">TimeDelayedFragmentation</option> 379 </param>
140 <option value="ElectromagneticRadiation">ElectromagneticRadiation</option> 380 </repeat>
141 <option value="Emission">Emission</option> 381 <param checked="false" falsevalue="" help="(-sort_peaks) " label="Sorts the peaks according to m/z" name="param_peak_options_sort_peaks" optional="True" truevalue="-peak_options:sort_peaks" type="boolean"/>
142 <option value="Absorbtion">Absorbtion</option> 382 <param checked="false" falsevalue="" help="(-no_chromatograms) e.g. from SRM scans" label="No conversion to space-saving real chromatograms," name="param_peak_options_no_chromatograms" optional="True" truevalue="-peak_options:no_chromatograms" type="boolean"/>
143 </param> 383 <param checked="false" falsevalue="" help="(-remove_chromatograms) " label="Removes chromatograms stored in a file" name="param_peak_options_remove_chromatograms" optional="True" truevalue="-peak_options:remove_chromatograms" type="boolean"/>
144 <param name="param_remove_activation" type="select" optional="True" label="Remove MSn scans where any of its precursors features a certain activation method" help="(-remove_activation)"> 384 <param help="(-mz_precision) " label="Store base64 encoded m/z data using 32 or 64 bit precision" name="param_peak_options_mz_precision" optional="True" type="select" value="64">
145 <option value="Collision-induced dissociation">Collision-induced dissociation</option> 385 <option value="32">32</option>
146 <option value="Post-source decay">Post-source decay</option> 386 <option value="64">64</option>
147 <option value="Plasma desorption">Plasma desorption</option> 387 </param>
148 <option value="Surface-induced dissociation">Surface-induced dissociation</option> 388 <param help="(-int_precision) " label="Store base64 encoded intensity data using 32 or 64 bit precision" name="param_peak_options_int_precision" optional="True" type="select" value="32">
149 <option value="Blackbody infrared radiative dissociation">Blackbody infrared radiative dissociation</option> 389 <option value="32">32</option>
150 <option value="Electron capture dissociation">Electron capture dissociation</option> 390 <option value="64">64</option>
151 <option value="Infrared multiphoton dissociation">Infrared multiphoton dissociation</option> 391 </param>
152 <option value="Sustained off-resonance irradiation">Sustained off-resonance irradiation</option> 392 <param checked="false" falsevalue="" help="(-indexed_file) " label="Whether to add an index to the file when writing" name="param_peak_options_indexed_file" optional="True" truevalue="-peak_options:indexed_file" type="boolean"/>
153 <option value="High-energy collision-induced dissociation">High-energy collision-induced dissociation</option> 393 <param help="(-masstime) " label="Apply MS Numpress compression algorithms in m/z or rt dimension (recommended: linear)" name="param_peak_options_numpress_masstime" optional="True" type="select" value="none">
154 <option value="Low-energy collision-induced dissociation">Low-energy collision-induced dissociation</option> 394 <option value="none">none</option>
155 <option value="Photodissociation">Photodissociation</option> 395 <option value="linear">linear</option>
156 <option value="Electron transfer dissociation">Electron transfer dissociation</option> 396 <option value="pic">pic</option>
157 <option value="Pulsed q dissociation">Pulsed q dissociation</option> 397 <option value="slof">slof</option>
158 </param> 398 </param>
159 <param name="param_remove_collision_energy" type="text" size="20" value=":" label="Remove MSn scans with a collision energy in the given interval" help="(-remove_collision_energy)"/> 399 <param help="(-masstime_error) " label="Maximal allowable error in m/z or rt dimension (set to 0.5 for pic)" name="param_peak_options_numpress_masstime_error" type="float" value="0.0001"/>
160 <param name="param_remove_isolation_window_width" type="text" size="20" value=":" label="Remove MSn scans whose isolation window width is in the given interval" help="(-remove_isolation_window_width)"/> 400 <param help="(-intensity) " label="Apply MS Numpress compression algorithms in intensity dimension (recommended: slof or pic)" name="param_peak_options_numpress_intensity" optional="True" type="select" value="none">
161 <param name="param_select_zoom" type="boolean" truevalue="-spectra:select_zoom true" falsevalue="-spectra:select_zoom false" checked="false" optional="True" label="Select zoom (enhanced resolution) scans" help="(-select_zoom)"/> 401 <option value="none">none</option>
162 <param name="param_select_mode" type="select" optional="True" label="Selects scans by scan mode#br#" help="(-select_mode)"> 402 <option value="linear">linear</option>
163 <option value="Unknown">Unknown</option> 403 <option value="pic">pic</option>
164 <option value="MassSpectrum">MassSpectrum</option> 404 <option value="slof">slof</option>
165 <option value="MS1Spectrum">MS1Spectrum</option> 405 </param>
166 <option value="MSnSpectrum">MSnSpectrum</option> 406 <param help="(-intensity_error) " label="Maximal allowable error in intensity dimension (set to 0.5 for pic)" name="param_peak_options_numpress_intensity_error" type="float" value="0.0001"/>
167 <option value="SelectedIonMonitoring">SelectedIonMonitoring</option> 407 <param checked="false" falsevalue="" help="(-remove_zoom) " label="Remove zoom (enhanced resolution) scans" name="param_spectra_remove_zoom" optional="True" truevalue="-spectra:remove_zoom" type="boolean"/>
168 <option value="SelectedReactionMonitoring">SelectedReactionMonitoring</option> 408 <param help="(-remove_mode) " label="Remove scans by scan mode" name="param_spectra_remove_mode" optional="True" type="select">
169 <option value="ConsecutiveReactionMonitoring">ConsecutiveReactionMonitoring</option> 409 <option value="Unknown">Unknown</option>
170 <option value="ConstantNeutralGain">ConstantNeutralGain</option> 410 <option value="MassSpectrum">MassSpectrum</option>
171 <option value="ConstantNeutralLoss">ConstantNeutralLoss</option> 411 <option value="MS1Spectrum">MS1Spectrum</option>
172 <option value="Precursor">Precursor</option> 412 <option value="MSnSpectrum">MSnSpectrum</option>
173 <option value="EnhancedMultiplyCharged">EnhancedMultiplyCharged</option> 413 <option value="SelectedIonMonitoring">SelectedIonMonitoring</option>
174 <option value="TimeDelayedFragmentation">TimeDelayedFragmentation</option> 414 <option value="SelectedReactionMonitoring">SelectedReactionMonitoring</option>
175 <option value="ElectromagneticRadiation">ElectromagneticRadiation</option> 415 <option value="ConsecutiveReactionMonitoring">ConsecutiveReactionMonitoring</option>
176 <option value="Emission">Emission</option> 416 <option value="ConstantNeutralGain">ConstantNeutralGain</option>
177 <option value="Absorbtion">Absorbtion</option> 417 <option value="ConstantNeutralLoss">ConstantNeutralLoss</option>
178 </param> 418 <option value="Precursor">Precursor</option>
179 <param name="param_select_activation" type="select" optional="True" label="Retain MSn scans where any of its precursors features a certain activation method" help="(-select_activation)"> 419 <option value="EnhancedMultiplyCharged">EnhancedMultiplyCharged</option>
180 <option value="Collision-induced dissociation">Collision-induced dissociation</option> 420 <option value="TimeDelayedFragmentation">TimeDelayedFragmentation</option>
181 <option value="Post-source decay">Post-source decay</option> 421 <option value="ElectromagneticRadiation">ElectromagneticRadiation</option>
182 <option value="Plasma desorption">Plasma desorption</option> 422 <option value="Emission">Emission</option>
183 <option value="Surface-induced dissociation">Surface-induced dissociation</option> 423 <option value="Absorbtion">Absorbtion</option>
184 <option value="Blackbody infrared radiative dissociation">Blackbody infrared radiative dissociation</option> 424 </param>
185 <option value="Electron capture dissociation">Electron capture dissociation</option> 425 <param help="(-remove_activation) " label="Remove MSn scans where any of its precursors features a certain activation method" name="param_spectra_remove_activation" optional="True" type="select">
186 <option value="Infrared multiphoton dissociation">Infrared multiphoton dissociation</option> 426 <option value="Collision-induced dissociation">Collision-induced dissociation</option>
187 <option value="Sustained off-resonance irradiation">Sustained off-resonance irradiation</option> 427 <option value="Post-source decay">Post-source decay</option>
188 <option value="High-energy collision-induced dissociation">High-energy collision-induced dissociation</option> 428 <option value="Plasma desorption">Plasma desorption</option>
189 <option value="Low-energy collision-induced dissociation">Low-energy collision-induced dissociation</option> 429 <option value="Surface-induced dissociation">Surface-induced dissociation</option>
190 <option value="Photodissociation">Photodissociation</option> 430 <option value="Blackbody infrared radiative dissociation">Blackbody infrared radiative dissociation</option>
191 <option value="Electron transfer dissociation">Electron transfer dissociation</option> 431 <option value="Electron capture dissociation">Electron capture dissociation</option>
192 <option value="Pulsed q dissociation">Pulsed q dissociation</option> 432 <option value="Infrared multiphoton dissociation">Infrared multiphoton dissociation</option>
193 </param> 433 <option value="Sustained off-resonance irradiation">Sustained off-resonance irradiation</option>
194 <param name="param_select_collision_energy" type="text" size="20" value=":" label="Select MSn scans with a collision energy in the given interval" help="(-select_collision_energy)"/> 434 <option value="High-energy collision-induced dissociation">High-energy collision-induced dissociation</option>
195 <param name="param_select_isolation_window_width" type="text" size="20" value=":" label="Select MSn scans whose isolation window width is in the given interval" help="(-select_isolation_window_width)"/> 435 <option value="Low-energy collision-induced dissociation">Low-energy collision-induced dissociation</option>
196 <param name="param_select_polarity" type="select" optional="True" label="Retain MSn scans with a certain scan polarity" help="(-select_polarity)"> 436 <option value="Photodissociation">Photodissociation</option>
197 <option value="unknown">unknown</option> 437 <option value="Electron transfer dissociation">Electron transfer dissociation</option>
198 <option value="positive">positive</option> 438 <option value="Pulsed q dissociation">Pulsed q dissociation</option>
199 <option value="negative">negative</option> 439 </param>
200 </param> 440 <param help="(-remove_collision_energy) " label="Remove MSn scans with a collision energy in the given interval" name="param_spectra_remove_collision_energy" size="30" type="text" value=":">
201 <param name="param_q" type="text" size="20" value=":" label="Overall quality range to extract [0:1]" help="(-q)"/> 441 <sanitizer>
202 <param name="param_map" type="text" size="20" value="0" label="Maps to be extracted from a consensus" help="(-map)"/> 442 <valid initial="string.printable">
203 <param name="param_map_and" type="boolean" truevalue="-consensus:map_and true" falsevalue="-consensus:map_and false" checked="false" optional="True" label="Consensus features are kept only if they contain exactly one feature from each map (as given above in 'map')" help="(-map_and)"/> 443 <remove value="'"/>
204 <param name="param_blacklist" type="boolean" truevalue="-consensus:blackorwhitelist:blacklist true" falsevalue="-consensus:blackorwhitelist:blacklist false" checked="true" optional="True" label="True: remove matched MS2. False: retain matched MS2 spectra. Other levels are kept" help="(-blacklist)"/> 444 <remove value="&quot;"/>
205 <param name="param_file" type="data" format="consensusXML" optional="True" label="Input file containing consensus features whose corresponding MS2 spectra should be removed from the mzML file!#br#Matching tolerances are taken from 'consensus:blackorwhitelist:rt' and 'consensus:blackorwhitelist:mz' options.#br#If consensus:blackorwhitelist:maps is specified, only these will be used.#br#" help="(-file)"/> 445 </valid>
206 <param name="param_maps" type="text" size="20" value="0" label="Maps used for black/white list filtering" help="(-maps)"/> 446 </sanitizer>
207 <param name="param_rt" type="float" min="0.0" optional="True" value="60.0" label="Retention tolerance [s] for precursor to consensus feature position" help="(-rt)"/> 447 </param>
208 <param name="param_mz" type="float" min="0.0" optional="True" value="0.01" label="m/z tolerance [Th] for precursor to consensus feature position" help="(-mz)"/> 448 <param help="(-remove_isolation_window_width) " label="Remove MSn scans whose isolation window width is in the given interval" name="param_spectra_remove_isolation_window_width" size="30" type="text" value=":">
209 <param name="param_use_ppm_tolerance" type="boolean" truevalue="-consensus:blackorwhitelist:use_ppm_tolerance true" falsevalue="-consensus:blackorwhitelist:use_ppm_tolerance false" checked="false" optional="True" label="If ppm tolerance should be used. Otherwise Da are used." help="(-use_ppm_tolerance)"/> 449 <sanitizer>
210 <param name="param_charge" type="text" size="20" value=":" label="Charge range to extract" help="(-charge)"/> 450 <valid initial="string.printable">
211 <param name="param_size" type="text" size="20" value=":" label="Size range to extract" help="(-size)"/> 451 <remove value="'"/>
212 <param name="param_remove_meta" type="text" size="20" label="Expects a 3-tuple (=3 entries in the list), 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!)!" help="(-remove_meta)"/> 452 <remove value="&quot;"/>
213 <param name="param_keep_best_score_id" type="boolean" truevalue="-id:keep_best_score_id true" falsevalue="-id:keep_best_score_id false" checked="false" optional="True" label="in case of multiple peptide identifications, keep only the id with best score" help="(-keep_best_score_id)"/> 453 </valid>
214 <param name="param_sequences_whitelist" type="text" size="20" label="keep only features with white listed sequences, e.g. LYSNLVER or the modification (Oxidation)" help="(-sequences_whitelist)"/> 454 </sanitizer>
215 <param name="param_accessions_whitelist" type="text" size="20" label="keep only features with white listed accessions, e.g. sp|P02662|CASA1_BOVIN" help="(-accessions_whitelist)"/> 455 </param>
216 <param name="param_remove_annotated_features" type="boolean" truevalue="-id:remove_annotated_features true" falsevalue="-id:remove_annotated_features false" checked="false" optional="True" label="Remove features with annotations" help="(-remove_annotated_features)"/> 456 <param checked="false" falsevalue="" help="(-select_zoom) " label="Select zoom (enhanced resolution) scans" name="param_spectra_select_zoom" optional="True" truevalue="-spectra:select_zoom" type="boolean"/>
217 <param name="param_remove_unannotated_features" type="boolean" truevalue="-id:remove_unannotated_features true" falsevalue="-id:remove_unannotated_features false" checked="false" optional="True" label="Remove features without annotations" help="(-remove_unannotated_features)"/> 457 <param help="(-select_mode) " label="Selects scans by scan mode" name="param_spectra_select_mode" optional="True" type="select">
218 <param name="param_remove_unassigned_ids" type="boolean" truevalue="-id:remove_unassigned_ids true" falsevalue="-id:remove_unassigned_ids false" checked="false" optional="True" label="Remove unassigned peptide identifications" help="(-remove_unassigned_ids)"/> 458 <option value="Unknown">Unknown</option>
219 <param name="param_blacklist" type="data" format="idXML" optional="True" label="Input file containing MS2 identifications whose corresponding MS2 spectra should be removed from the mzML file!#br#Matching tolerances are taken from 'id:rt' and 'id:mz' options.#br#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." help="(-blacklist)"/> 459 <option value="MassSpectrum">MassSpectrum</option>
220 <param name="param_rt" type="float" min="0.0" optional="True" value="0.1" label="Retention tolerance [s] for precursor to id position" help="(-rt)"/> 460 <option value="MS1Spectrum">MS1Spectrum</option>
221 <param name="param_mz" type="float" min="0.0" optional="True" value="0.001" label="m/z tolerance [Th] for precursor to id position" help="(-mz)"/> 461 <option value="MSnSpectrum">MSnSpectrum</option>
222 <param name="param_blacklist_imperfect" type="boolean" truevalue="-id:blacklist_imperfect true" falsevalue="-id:blacklist_imperfect false" checked="false" optional="True" label="Allow for mismatching precursor positions (see 'id:blacklist')" help="(-blacklist_imperfect)"/> 462 <option value="SelectedIonMonitoring">SelectedIonMonitoring</option>
223 <param name="param_win_len" type="float" min="1.0" optional="True" value="200.0" label="window length in Thomson" help="(-win_len)"/> 463 <option value="SelectedReactionMonitoring">SelectedReactionMonitoring</option>
224 <param name="param_bin_count" type="integer" min="3" optional="True" value="30" label="number of bins for intensity values" help="(-bin_count)"/> 464 <option value="ConsecutiveReactionMonitoring">ConsecutiveReactionMonitoring</option>
225 <param name="param_min_required_elements" type="integer" min="1" optional="True" value="10" label="minimum number of elements required in a window (otherwise it is considered sparse)" help="(-min_required_elements)"/> 465 <option value="ConstantNeutralGain">ConstantNeutralGain</option>
226 <expand macro="advanced_options"> 466 <option value="ConstantNeutralLoss">ConstantNeutralLoss</option>
227 <param name="param_remove_clashes" type="boolean" truevalue="-id:remove_clashes true" falsevalue="-id:remove_clashes false" checked="false" optional="True" label="Remove features with id clashes (different sequences mapped to one feature)" help="(-remove_clashes)"/> 467 <option value="Precursor">Precursor</option>
228 <param name="param_max_intensity" type="integer" min="-1" optional="True" value="-1" label="maximal intensity considered for histogram construction. By default, it will be calculated automatically (see auto_mode). Only provide this parameter if you know what you are doing (and change 'auto_mode' to '-1')! All intensities EQUAL/ABOVE 'max_intensity' will be added to the LAST histogram bin. If you choose 'max_intensity' too small, the noise estimate might be too small as well. If chosen too big, the bins become quite large (which you could counter by increasing 'bin_count', which increases runtime). In general, the Median-S/N estimator is more robust to a manual max_intensity than the MeanIterative-S/N." help="(-max_intensity)"/> 468 <option value="EnhancedMultiplyCharged">EnhancedMultiplyCharged</option>
229 <param name="param_auto_max_stdev_factor" type="float" min="0.0" max="999.0" optional="True" value="3.0" label="parameter for 'max_intensity' estimation (if 'auto_mode' == 0): mean + 'auto_max_stdev_factor' * stdev" help="(-auto_max_stdev_factor)"/> 469 <option value="TimeDelayedFragmentation">TimeDelayedFragmentation</option>
230 <param name="param_auto_max_percentile" type="integer" min="0" max="100" optional="True" value="95" label="parameter for 'max_intensity' estimation (if 'auto_mode' == 1): auto_max_percentile th percentile" help="(-auto_max_percentile)"/> 470 <option value="ElectromagneticRadiation">ElectromagneticRadiation</option>
231 <param name="param_auto_mode" type="integer" min="-1" max="1" optional="True" value="0" label="method to use to determine maximal intensity: -1 --&gt; use 'max_intensity'; 0 --&gt; 'auto_max_stdev_factor' method (default); 1 --&gt; 'auto_max_percentile' method" help="(-auto_mode)"/> 471 <option value="Emission">Emission</option>
232 <param name="param_noise_for_empty_window" type="float" value="1e+20" label="noise value used for sparse windows" help="(-noise_for_empty_window)"/> 472 <option value="Absorbtion">Absorbtion</option>
233 </expand> 473 </param>
234 </inputs> 474 <param help="(-select_activation) " label="Retain MSn scans where any of its precursors features a certain activation method" name="param_spectra_select_activation" optional="True" type="select">
235 <outputs> 475 <option value="Collision-induced dissociation">Collision-induced dissociation</option>
236 <data name="param_out" label="Output file" format="consensusXML"> 476 <option value="Post-source decay">Post-source decay</option>
237 <change_format> 477 <option value="Plasma desorption">Plasma desorption</option>
238 <when input="param_out_type" value="mzML" format="mzML"/> 478 <option value="Surface-induced dissociation">Surface-induced dissociation</option>
239 <when input="param_out_type" value="featureXML" format="featureXML"/> 479 <option value="Blackbody infrared radiative dissociation">Blackbody infrared radiative dissociation</option>
240 </change_format> 480 <option value="Electron capture dissociation">Electron capture dissociation</option>
241 </data> 481 <option value="Infrared multiphoton dissociation">Infrared multiphoton dissociation</option>
242 </outputs> 482 <option value="Sustained off-resonance irradiation">Sustained off-resonance irradiation</option>
243 <help>**What it does** 483 <option value="High-energy collision-induced dissociation">High-energy collision-induced dissociation</option>
244 484 <option value="Low-energy collision-induced dissociation">Low-energy collision-induced dissociation</option>
245 Extracts or manipulates portions of data from peak, feature or consensus-feature files. 485 <option value="Photodissociation">Photodissociation</option>
246 486 <option value="Electron transfer dissociation">Electron transfer dissociation</option>
247 487 <option value="Pulsed q dissociation">Pulsed q dissociation</option>
248 For more information, visit http://ftp.mi.fu-berlin.de/OpenMS/release-documentation/html/TOPP_FileFilter.html 488 </param>
249 489 <param help="(-select_collision_energy) " label="Select MSn scans with a collision energy in the given interval" name="param_spectra_select_collision_energy" size="30" type="text" value=":">
250 @REFERENCES@ 490 <sanitizer>
251 </help> 491 <valid initial="string.printable">
252 </tool> 492 <remove value="'"/>
493 <remove value="&quot;"/>
494 </valid>
495 </sanitizer>
496 </param>
497 <param help="(-select_isolation_window_width) " label="Select MSn scans whose isolation window width is in the given interval" name="param_spectra_select_isolation_window_width" size="30" type="text" value=":">
498 <sanitizer>
499 <valid initial="string.printable">
500 <remove value="'"/>
501 <remove value="&quot;"/>
502 </valid>
503 </sanitizer>
504 </param>
505 <param help="(-select_polarity) " label="Retain MSn scans with a certain scan polarity" name="param_spectra_select_polarity" optional="True" type="select">
506 <option value="unknown">unknown</option>
507 <option value="positive">positive</option>
508 <option value="negative">negative</option>
509 </param>
510 <param help="(-q) " label="Overall quality range to extract [0:1]" name="param_feature_q" size="30" type="text" value=":">
511 <sanitizer>
512 <valid initial="string.printable">
513 <remove value="'"/>
514 <remove value="&quot;"/>
515 </valid>
516 </sanitizer>
517 </param>
518 <repeat min="0" name="rep_param_consensus_map" title="param_consensus_map">
519 <param help="(-map) " label="Maps to be extracted from a consensus" name="param_consensus_map" size="30" type="text" value="0">
520 <sanitizer>
521 <valid initial="string.printable">
522 <remove value="'"/>
523 <remove value="&quot;"/>
524 </valid>
525 </sanitizer>
526 </param>
527 </repeat>
528 <param checked="false" falsevalue="" help="(-map_and) " label="Consensus features are kept only if they contain exactly one feature from each map (as given above in 'map')" name="param_consensus_map_and" optional="True" truevalue="-consensus:map_and" type="boolean"/>
529 <param checked="true" falsevalue="" help="(-blacklist) False: retain matched MS2 spectra. Other levels are kept" label="True: remove matched MS2" name="param_consensus_blackorwhitelist_blacklist" optional="True" truevalue="-consensus:blackorwhitelist:blacklist" type="boolean"/>
530 <param format="consensusxml" help="(-file) &lt;br&gt;If consensus:blackorwhitelist:maps is specified, only these will be used. &lt;br&gt;" label="Input file containing consensus features whose corresponding MS2 spectra should be removed from the mzML file! &lt;br&gt;Matching tolerances are taken from 'consensus:blackorwhitelist:rt' and 'consensus:blackorwhitelist:mz' options" name="param_consensus_blackorwhitelist_file" optional="True" type="data"/>
531 <repeat min="0" name="rep_param_consensus_blackorwhitelist_maps" title="param_consensus_blackorwhitelist_maps">
532 <param help="(-maps) " label="Maps used for black/white list filtering" name="param_consensus_blackorwhitelist_maps" size="30" type="text" value="0">
533 <sanitizer>
534 <valid initial="string.printable">
535 <remove value="'"/>
536 <remove value="&quot;"/>
537 </valid>
538 </sanitizer>
539 </param>
540 </repeat>
541 <param help="(-rt) " label="Retention tolerance [s] for precursor to consensus feature position" min="0.0" name="param_consensus_blackorwhitelist_rt" optional="True" type="float" value="60.0"/>
542 <param help="(-mz) " label="m/z tolerance [Th] for precursor to consensus feature position" min="0.0" name="param_consensus_blackorwhitelist_mz" optional="True" type="float" value="0.01"/>
543 <param checked="false" falsevalue="" help="(-use_ppm_tolerance) Otherwise Da are used" label="If ppm tolerance should be used" name="param_consensus_blackorwhitelist_use_ppm_tolerance" optional="True" truevalue="-consensus:blackorwhitelist:use_ppm_tolerance" type="boolean"/>
544 <param help="(-charge) " label="Charge range to extract" name="param_f_and_c_charge" size="30" type="text" value=":">
545 <sanitizer>
546 <valid initial="string.printable">
547 <remove value="'"/>
548 <remove value="&quot;"/>
549 </valid>
550 </sanitizer>
551 </param>
552 <param help="(-size) " label="Size range to extract" name="param_f_and_c_size" size="30" type="text" value=":">
553 <sanitizer>
554 <valid initial="string.printable">
555 <remove value="'"/>
556 <remove value="&quot;"/>
557 </valid>
558 </sanitizer>
559 </param>
560 <repeat min="0" name="rep_param_f_and_c_remove_meta" title="param_f_and_c_remove_meta">
561 <param help="(-remove_meta) &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!)!" label="Expects a 3-tuple (=3 entries in the list), i.e" name="param_f_and_c_remove_meta" size="30" type="text">
562 <sanitizer>
563 <valid initial="string.printable">
564 <remove value="'"/>
565 <remove value="&quot;"/>
566 </valid>
567 </sanitizer>
568 </param>
569 </repeat>
570 <param checked="false" falsevalue="" help="(-keep_best_score_id) " label="in case of multiple peptide identifications, keep only the id with best score" name="param_id_keep_best_score_id" optional="True" truevalue="-id:keep_best_score_id" type="boolean"/>
571 <repeat min="0" name="rep_param_id_sequences_whitelist" title="param_id_sequences_whitelist">
572 <param help="(-sequences_whitelist) e.g. LYSNLVER or the modification (Oxidation)" label="keep only features with white listed sequences," name="param_id_sequences_whitelist" size="30" type="text">
573 <sanitizer>
574 <valid initial="string.printable">
575 <remove value="'"/>
576 <remove value="&quot;"/>
577 </valid>
578 </sanitizer>
579 </param>
580 </repeat>
581 <repeat min="0" name="rep_param_id_accessions_whitelist" title="param_id_accessions_whitelist">
582 <param help="(-accessions_whitelist) e.g. sp|P02662|CASA1_BOVIN" label="keep only features with white listed accessions," name="param_id_accessions_whitelist" size="30" type="text">
583 <sanitizer>
584 <valid initial="string.printable">
585 <remove value="'"/>
586 <remove value="&quot;"/>
587 </valid>
588 </sanitizer>
589 </param>
590 </repeat>
591 <param checked="false" falsevalue="" help="(-remove_annotated_features) " label="Remove features with annotations" name="param_id_remove_annotated_features" optional="True" truevalue="-id:remove_annotated_features" type="boolean"/>
592 <param checked="false" falsevalue="" help="(-remove_unannotated_features) " label="Remove features without annotations" name="param_id_remove_unannotated_features" optional="True" truevalue="-id:remove_unannotated_features" type="boolean"/>
593 <param checked="false" falsevalue="" help="(-remove_unassigned_ids) " label="Remove unassigned peptide identifications" name="param_id_remove_unassigned_ids" optional="True" truevalue="-id:remove_unassigned_ids" type="boolean"/>
594 <param format="xml" help="(-blacklist) &lt;br&gt;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" label="Input file containing MS2 identifications whose corresponding MS2 spectra should be removed from the mzML file! &lt;br&gt;Matching tolerances are taken from 'id:rt' and 'id:mz' options" name="param_id_blacklist" optional="True" type="data"/>
595 <param help="(-rt) " label="Retention tolerance [s] for precursor to id position" min="0.0" name="param_id_rt" optional="True" type="float" value="0.1"/>
596 <param help="(-mz) " label="m/z tolerance [Th] for precursor to id position" min="0.0" name="param_id_mz" optional="True" type="float" value="0.001"/>
597 <param checked="false" falsevalue="" help="(-blacklist_imperfect) " label="Allow for mismatching precursor positions (see 'id:blacklist')" name="param_id_blacklist_imperfect" optional="True" truevalue="-id:blacklist_imperfect" type="boolean"/>
598 <param help="(-win_len) " label="window length in Thomson" min="1.0" name="param_algorithm_SignalToNoise_win_len" optional="True" type="float" value="200.0"/>
599 <param help="(-bin_count) " label="number of bins for intensity values" min="3" name="param_algorithm_SignalToNoise_bin_count" optional="True" type="integer" value="30"/>
600 <param help="(-min_required_elements) " label="minimum number of elements required in a window (otherwise it is considered sparse)" min="1" name="param_algorithm_SignalToNoise_min_required_elements" optional="True" type="integer" value="10"/>
601 <param checked="true" falsevalue="" help="(-write_log_messages) " label="Write out log messages in case of sparse windows or median in rightmost histogram bin" name="param_algorithm_SignalToNoise_write_log_messages" optional="True" truevalue="-algorithm:SignalToNoise:write_log_messages" type="boolean"/>
602 <expand macro="advanced_options">
603 <param checked="false" falsevalue="" help="(-force) " label="Overwrite tool specific checks" name="param_force" optional="True" truevalue="-force" type="boolean"/>
604 <param checked="false" falsevalue="" help="(-remove_clashes) " label="Remove features with id clashes (different sequences mapped to one feature)" name="param_id_remove_clashes" optional="True" truevalue="-id:remove_clashes" type="boolean"/>
605 <param help="(-max_intensity) By default, it will be calculated automatically (see auto_mode). Only provide this parameter if you know what you are doing (and change 'auto_mode' to '-1')! All intensities EQUAL/ABOVE 'max_intensity' will be added to the LAST histogram bin. If you choose 'max_intensity' too small, the noise estimate might be too small as well. If chosen too big, the bins become quite large (which you could counter by increasing 'bin_count', which increases runtime). In general, the Median-S/N estimator is more robust to a manual max_intensity than the MeanIterative-S/N" label="maximal intensity considered for histogram construction" min="-1" name="param_algorithm_SignalToNoise_max_intensity" optional="True" type="integer" value="-1"/>
606 <param help="(-auto_max_stdev_factor) " label="parameter for 'max_intensity' estimation (if 'auto_mode' == 0): mean + 'auto_max_stdev_factor' * stdev" max="999.0" min="0.0" name="param_algorithm_SignalToNoise_auto_max_stdev_factor" optional="True" type="float" value="3.0"/>
607 <param help="(-auto_max_percentile) " label="parameter for 'max_intensity' estimation (if 'auto_mode' == 1): auto_max_percentile th percentile" max="100" min="0" name="param_algorithm_SignalToNoise_auto_max_percentile" optional="True" type="integer" value="95"/>
608 <param help="(-auto_mode) " label="method to use to determine maximal intensity: -1 --&gt; use 'max_intensity'; 0 --&gt; 'auto_max_stdev_factor' method (default); 1 --&gt; 'auto_max_percentile' method" max="1" min="-1" name="param_algorithm_SignalToNoise_auto_mode" optional="True" type="integer" value="0"/>
609 <param help="(-noise_for_empty_window) " label="noise value used for sparse windows" name="param_algorithm_SignalToNoise_noise_for_empty_window" type="float" value="1e+20"/>
610 </expand>
611 </inputs>
612 <outputs>
613 <data format="input" metadata_source="param_in" name="param_out"/>
614 </outputs>
615 <help>Extracts or manipulates portions of data from peak, feature or consensus-feature files.
616
617
618 For more information, visit http://ftp.mi.fu-berlin.de/OpenMS/release-documentation/html/TOPP_FileFilter.html</help>
619 </tool>