comparison FeatureFinderCentroided.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="FeatureFinderCentroided" name="FeatureFinderCentroided" 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>Detects two-dimensional features in LC-MS data.</description> 3 <!--Proposed Tool Section: [Quantitation]-->
4 <macros> 4 <tool id="FeatureFinderCentroided" name="FeatureFinderCentroided" version="2.0.0">
5 <token name="@EXECUTABLE@">FeatureFinderCentroided</token> 5 <description>Detects two-dimensional features in LC-MS data.</description>
6 <import>macros.xml</import> 6 <macros>
7 </macros> 7 <token name="@EXECUTABLE@">FeatureFinderCentroided</token>
8 <expand macro="stdio"/> 8 <import>macros.xml</import>
9 <expand macro="requirements"/> 9 </macros>
10 <command>FeatureFinderCentroided 10 <expand macro="references"/>
11 <expand macro="stdio"/>
12 <expand macro="requirements"/>
13 <command>FeatureFinderCentroided
11 14
12 -in ${param_in} 15 #if $param_in:
13 -out ${param_out} 16 -in $param_in
14 -seeds ${param_seeds} 17 #end if
15 -threads \${GALAXY_SLOTS:-24} 18 #if $param_out:
16 -algorithm:intensity:bins ${param_bins} 19 -out $param_out
17 -algorithm:mass_trace:mz_tolerance ${param_mz_tolerance} 20 #end if
18 -algorithm:mass_trace:min_spectra ${param_min_spectra} 21 #if $param_seeds:
19 -algorithm:mass_trace:max_missing ${param_max_missing} 22 -seeds $param_seeds
20 -algorithm:mass_trace:slope_bound ${param_slope_bound} 23 #end if
21 -algorithm:isotopic_pattern:charge_low ${param_charge_low} 24 #if $param_out_mzq:
22 -algorithm:isotopic_pattern:charge_high ${param_charge_high} 25 -out_mzq $param_out_mzq
23 -algorithm:isotopic_pattern:mz_tolerance ${param_mz_tolerance} 26 #end if
24 -algorithm:seed:min_score ${param_min_score} 27 -threads \${GALAXY_SLOTS:-24}
25 -algorithm:feature:min_score ${param_min_score} 28 #if $param_algorithm_intensity_bins:
26 -algorithm:feature:reported_mz ${param_reported_mz} 29 -algorithm:intensity:bins $param_algorithm_intensity_bins
27 -algorithm:user-seed:rt_tolerance ${param_rt_tolerance} 30 #end if
28 -algorithm:user-seed:mz_tolerance ${param_mz_tolerance} 31 #if $param_algorithm_mass_trace_mz_tolerance:
29 -algorithm:user-seed:min_score ${param_min_score} 32 -algorithm:mass_trace:mz_tolerance $param_algorithm_mass_trace_mz_tolerance
33 #end if
34 #if $param_algorithm_mass_trace_min_spectra:
35 -algorithm:mass_trace:min_spectra $param_algorithm_mass_trace_min_spectra
36 #end if
37 #if $param_algorithm_mass_trace_max_missing:
38 -algorithm:mass_trace:max_missing $param_algorithm_mass_trace_max_missing
39 #end if
40 #if $param_algorithm_mass_trace_slope_bound:
41 -algorithm:mass_trace:slope_bound $param_algorithm_mass_trace_slope_bound
42 #end if
43 #if $param_algorithm_isotopic_pattern_charge_low:
44 -algorithm:isotopic_pattern:charge_low $param_algorithm_isotopic_pattern_charge_low
45 #end if
46 #if $param_algorithm_isotopic_pattern_charge_high:
47 -algorithm:isotopic_pattern:charge_high $param_algorithm_isotopic_pattern_charge_high
48 #end if
49 #if $param_algorithm_isotopic_pattern_mz_tolerance:
50 -algorithm:isotopic_pattern:mz_tolerance $param_algorithm_isotopic_pattern_mz_tolerance
51 #end if
52 #if $param_algorithm_seed_min_score:
53 -algorithm:seed:min_score $param_algorithm_seed_min_score
54 #end if
55 #if $param_algorithm_feature_min_score:
56 -algorithm:feature:min_score $param_algorithm_feature_min_score
57 #end if
58 #if $param_algorithm_feature_reported_mz:
59 -algorithm:feature:reported_mz
60 #if &quot; &quot; in str($param_algorithm_feature_reported_mz):
61 &quot;$param_algorithm_feature_reported_mz&quot;
62 #else
63 $param_algorithm_feature_reported_mz
64 #end if
65 #end if
66 #if $param_algorithm_user_seed_rt_tolerance:
67 -algorithm:user-seed:rt_tolerance $param_algorithm_user_seed_rt_tolerance
68 #end if
69 #if $param_algorithm_user_seed_mz_tolerance:
70 -algorithm:user-seed:mz_tolerance $param_algorithm_user_seed_mz_tolerance
71 #end if
72 #if $param_algorithm_user_seed_min_score:
73 -algorithm:user-seed:min_score $param_algorithm_user_seed_min_score
74 #end if
30 #if $adv_opts.adv_opts_selector=='advanced': 75 #if $adv_opts.adv_opts_selector=='advanced':
31 -out_mzq ${adv_opts.param_out_mzq} 76 #if $adv_opts.param_force:
32 -algorithm:debug:pseudo_rt_shift ${adv_opts.param_pseudo_rt_shift} 77 -force
33 -algorithm:isotopic_pattern:intensity_percentage ${adv_opts.param_intensity_percentage} 78 #end if
34 -algorithm:isotopic_pattern:intensity_percentage_optional ${adv_opts.param_intensity_percentage_optional} 79 #if $adv_opts.param_algorithm_debug_pseudo_rt_shift:
35 -algorithm:isotopic_pattern:optional_fit_improvement ${adv_opts.param_optional_fit_improvement} 80 -algorithm:debug:pseudo_rt_shift $adv_opts.param_algorithm_debug_pseudo_rt_shift
36 -algorithm:isotopic_pattern:mass_window_width ${adv_opts.param_mass_window_width} 81 #end if
37 -algorithm:isotopic_pattern:abundance_12C ${adv_opts.param_abundance_12C} 82 #if $adv_opts.param_algorithm_isotopic_pattern_intensity_percentage:
38 -algorithm:isotopic_pattern:abundance_14N ${adv_opts.param_abundance_14N} 83 -algorithm:isotopic_pattern:intensity_percentage $adv_opts.param_algorithm_isotopic_pattern_intensity_percentage
39 -algorithm:fit:max_iterations ${adv_opts.param_max_iterations} 84 #end if
40 -algorithm:feature:min_isotope_fit ${adv_opts.param_min_isotope_fit} 85 #if $adv_opts.param_algorithm_isotopic_pattern_intensity_percentage_optional:
41 -algorithm:feature:min_trace_score ${adv_opts.param_min_trace_score} 86 -algorithm:isotopic_pattern:intensity_percentage_optional $adv_opts.param_algorithm_isotopic_pattern_intensity_percentage_optional
42 -algorithm:feature:min_rt_span ${adv_opts.param_min_rt_span} 87 #end if
43 -algorithm:feature:max_rt_span ${adv_opts.param_max_rt_span} 88 #if $adv_opts.param_algorithm_isotopic_pattern_optional_fit_improvement:
44 -algorithm:feature:rt_shape ${adv_opts.param_rt_shape} 89 -algorithm:isotopic_pattern:optional_fit_improvement $adv_opts.param_algorithm_isotopic_pattern_optional_fit_improvement
45 -algorithm:feature:max_intersection ${adv_opts.param_max_intersection} 90 #end if
91 #if $adv_opts.param_algorithm_isotopic_pattern_mass_window_width:
92 -algorithm:isotopic_pattern:mass_window_width $adv_opts.param_algorithm_isotopic_pattern_mass_window_width
93 #end if
94 #if $adv_opts.param_algorithm_isotopic_pattern_abundance_12C:
95 -algorithm:isotopic_pattern:abundance_12C $adv_opts.param_algorithm_isotopic_pattern_abundance_12C
96 #end if
97 #if $adv_opts.param_algorithm_isotopic_pattern_abundance_14N:
98 -algorithm:isotopic_pattern:abundance_14N $adv_opts.param_algorithm_isotopic_pattern_abundance_14N
99 #end if
100 #if $adv_opts.param_algorithm_fit_max_iterations:
101 -algorithm:fit:max_iterations $adv_opts.param_algorithm_fit_max_iterations
102 #end if
103 #if $adv_opts.param_algorithm_feature_min_isotope_fit:
104 -algorithm:feature:min_isotope_fit $adv_opts.param_algorithm_feature_min_isotope_fit
105 #end if
106 #if $adv_opts.param_algorithm_feature_min_trace_score:
107 -algorithm:feature:min_trace_score $adv_opts.param_algorithm_feature_min_trace_score
108 #end if
109 #if $adv_opts.param_algorithm_feature_min_rt_span:
110 -algorithm:feature:min_rt_span $adv_opts.param_algorithm_feature_min_rt_span
111 #end if
112 #if $adv_opts.param_algorithm_feature_max_rt_span:
113 -algorithm:feature:max_rt_span $adv_opts.param_algorithm_feature_max_rt_span
114 #end if
115 #if $adv_opts.param_algorithm_feature_rt_shape:
116 -algorithm:feature:rt_shape
117 #if &quot; &quot; in str($adv_opts.param_algorithm_feature_rt_shape):
118 &quot;$adv_opts.param_algorithm_feature_rt_shape&quot;
119 #else
120 $adv_opts.param_algorithm_feature_rt_shape
121 #end if
122 #end if
123 #if $adv_opts.param_algorithm_feature_max_intersection:
124 -algorithm:feature:max_intersection $adv_opts.param_algorithm_feature_max_intersection
125 #end if
46 #end if 126 #end if
47 </command> 127 </command>
48 <inputs> 128 <inputs>
49 <param name="param_in" type="data" format="mzML" optional="False" label="input file" help="(-in)"/> 129 <param format="mzml" help="(-in) " label="input file" name="param_in" optional="False" type="data"/>
50 <param name="param_seeds" type="data" format="featureXML" optional="True" label="User specified seed list" help="(-seeds)"/> 130 <param format="xml" help="(-seeds) " label="User specified seed list" name="param_seeds" optional="True" type="data"/>
51 <param name="param_bins" type="integer" min="1" optional="True" value="10" label="Number of bins per dimension (RT and m/z). The higher this value, the more local the intensity significance score is.#br#This parameter should be decreased, if the algorithm is used on small regions of a map." help="(-bins)"/> 131 <param help="(-bins) The higher this value, the more local the intensity significance score is. &lt;br&gt;This parameter should be decreased, if the algorithm is used on small regions of a map" label="Number of bins per dimension (RT and m/z)" min="1" name="param_algorithm_intensity_bins" optional="True" type="integer" value="10"/>
52 <param name="param_mz_tolerance" type="float" min="0.0" optional="True" value="0.03" label="Tolerated m/z deviation of peaks belonging to the same mass trace.#br#It should be larger than the m/z resolution of the instrument.#br#This value must be smaller than that 1/charge_high!" help="(-mz_tolerance)"/> 132 <param help="(-mz_tolerance) &lt;br&gt;It should be larger than the m/z resolution of the instrument. &lt;br&gt;This value must be smaller than that 1/charge_high!" label="Tolerated m/z deviation of peaks belonging to the same mass trace" min="0.0" name="param_algorithm_mass_trace_mz_tolerance" optional="True" type="float" value="0.03"/>
53 <param name="param_min_spectra" type="integer" min="1" optional="True" value="10" label="Number of spectra that have to show a similar peak mass in a mass trace." help="(-min_spectra)"/> 133 <param help="(-min_spectra) " label="Number of spectra that have to show a similar peak mass in a mass trace" min="1" name="param_algorithm_mass_trace_min_spectra" optional="True" type="integer" value="10"/>
54 <param name="param_max_missing" type="integer" min="0" optional="True" value="1" label="Number of consecutive spectra where a high mass deviation or missing peak is acceptable.#br#This parameter should be well below 'min_spectra'!" help="(-max_missing)"/> 134 <param help="(-max_missing) &lt;br&gt;This parameter should be well below 'min_spectra'!" label="Number of consecutive spectra where a high mass deviation or missing peak is acceptable" min="0" name="param_algorithm_mass_trace_max_missing" optional="True" type="integer" value="1"/>
55 <param name="param_slope_bound" type="float" min="0.0" optional="True" value="0.1" label="The maximum slope of mass trace intensities when extending from the highest peak.#br#This parameter is important to seperate overlapping elution peaks.#br#It should be increased if feature elution profiles fluctuate a lot." help="(-slope_bound)"/> 135 <param help="(-slope_bound) &lt;br&gt;This parameter is important to seperate overlapping elution peaks. &lt;br&gt;It should be increased if feature elution profiles fluctuate a lot" label="The maximum slope of mass trace intensities when extending from the highest peak" min="0.0" name="param_algorithm_mass_trace_slope_bound" optional="True" type="float" value="0.1"/>
56 <param name="param_charge_low" type="integer" min="1" optional="True" value="1" label="Lowest charge to search for." help="(-charge_low)"/> 136 <param help="(-charge_low) " label="Lowest charge to search fo" min="1" name="param_algorithm_isotopic_pattern_charge_low" optional="True" type="integer" value="1"/>
57 <param name="param_charge_high" type="integer" min="1" optional="True" value="4" label="Highest charge to search for." help="(-charge_high)"/> 137 <param help="(-charge_high) " label="Highest charge to search fo" min="1" name="param_algorithm_isotopic_pattern_charge_high" optional="True" type="integer" value="4"/>
58 <param name="param_mz_tolerance" type="float" min="0.0" optional="True" value="0.03" label="Tolerated m/z deviation from the theoretical isotopic pattern.#br#It should be larger than the m/z resolution of the instrument.#br#This value must be smaller than that 1/charge_high!" help="(-mz_tolerance)"/> 138 <param help="(-mz_tolerance) &lt;br&gt;It should be larger than the m/z resolution of the instrument. &lt;br&gt;This value must be smaller than that 1/charge_high!" label="Tolerated m/z deviation from the theoretical isotopic pattern" min="0.0" name="param_algorithm_isotopic_pattern_mz_tolerance" optional="True" type="float" value="0.03"/>
59 <param name="param_min_score" type="float" min="0.0" max="1.0" optional="True" value="0.8" label="Minimum seed score a peak has to reach to be used as seed.#br#The seed score is the geometric mean of intensity score, mass trace score and isotope pattern score.#br#If your features show a large deviation from the averagene isotope distribution or from an gaussian elution profile, lower this score." help="(-min_score)"/> 139 <param help="(-min_score) &lt;br&gt;The seed score is the geometric mean of intensity score, mass trace score and isotope pattern score. &lt;br&gt;If your features show a large deviation from the averagene isotope distribution or from an gaussian elution profile, lower this score" label="Minimum seed score a peak has to reach to be used as seed" max="1.0" min="0.0" name="param_algorithm_seed_min_score" optional="True" type="float" value="0.8"/>
60 <param name="param_min_score" type="float" min="0.0" max="1.0" optional="True" value="0.7" label="Feature score threshold for a feature to be reported.#br#The feature score is the geometric mean of the average relative deviation and the correlation between the model and the observed peaks." help="(-min_score)"/> 140 <param help="(-min_score) &lt;br&gt;The feature score is the geometric mean of the average relative deviation and the correlation between the model and the observed peaks" label="Feature score threshold for a feature to be reported" max="1.0" min="0.0" name="param_algorithm_feature_min_score" optional="True" type="float" value="0.7"/>
61 <param name="param_reported_mz" type="select" optional="True" value="monoisotopic" label="The mass type that is reported for features.#br#'maximum' returns the m/z value of the highest mass trace.#br#'average' returns the intensity-weighted average m/z value of all contained peaks.#br#'monoisotopic' returns the monoisotopic m/z value derived from the fitted isotope model." help="(-reported_mz)"> 141 <param help="(-reported_mz) &lt;br&gt;'maximum' returns the m/z value of the highest mass trace. &lt;br&gt;'average' returns the intensity-weighted average m/z value of all contained peaks. &lt;br&gt;'monoisotopic' returns the monoisotopic m/z value derived from the fitted isotope model" label="The mass type that is reported for features" name="param_algorithm_feature_reported_mz" optional="True" type="select" value="monoisotopic">
62 <option value="maximum">maximum</option> 142 <option value="maximum">maximum</option>
63 <option value="average">average</option> 143 <option value="average">average</option>
64 <option value="monoisotopic">monoisotopic</option> 144 <option value="monoisotopic">monoisotopic</option>
65 </param>
66 <param name="param_rt_tolerance" type="float" min="0.0" optional="True" value="5.0" label="Allowed RT deviation of seeds from the user-specified seed position." help="(-rt_tolerance)"/>
67 <param name="param_mz_tolerance" type="float" min="0.0" optional="True" value="1.1" label="Allowed m/z deviation of seeds from the user-specified seed position." help="(-mz_tolerance)"/>
68 <param name="param_min_score" type="float" min="0.0" max="1.0" optional="True" value="0.5" label="Overwrites 'seed:min_score' for user-specified seeds. The cutoff is typically a bit lower in this case." help="(-min_score)"/>
69 <expand macro="advanced_options">
70 <param name="param_pseudo_rt_shift" type="float" min="1.0" optional="True" value="500.0" label="Pseudo RT shift used when ." help="(-pseudo_rt_shift)"/>
71 <param name="param_intensity_percentage" type="float" min="0.0" max="100.0" optional="True" value="10.0" label="Isotopic peaks that contribute more than this percentage to the overall isotope pattern intensity must be present." help="(-intensity_percentage)"/>
72 <param name="param_intensity_percentage_optional" type="float" min="0.0" max="100.0" optional="True" value="0.1" label="Isotopic peaks that contribute more than this percentage to the overall isotope pattern intensity can be missing." help="(-intensity_percentage_optional)"/>
73 <param name="param_optional_fit_improvement" type="float" min="0.0" max="100.0" optional="True" value="2.0" label="Minimal percental improvement of isotope fit to allow leaving out an optional peak." help="(-optional_fit_improvement)"/>
74 <param name="param_mass_window_width" type="float" min="1.0" max="200.0" optional="True" value="25.0" label="Window width in Dalton for precalculation of estimated isotope distributions." help="(-mass_window_width)"/>
75 <param name="param_abundance_12C" type="float" min="0.0" max="100.0" optional="True" value="98.93" label="Rel. abundance of the light carbon. Modify if labeled." help="(-abundance_12C)"/>
76 <param name="param_abundance_14N" type="float" min="0.0" max="100.0" optional="True" value="99.632" label="Rel. abundance of the light nitrogen. Modify if labeled." help="(-abundance_14N)"/>
77 <param name="param_max_iterations" type="integer" min="1" optional="True" value="500" label="Maximum number of iterations of the fit." help="(-max_iterations)"/>
78 <param name="param_min_isotope_fit" type="float" min="0.0" max="1.0" optional="True" value="0.8" label="Minimum isotope fit of the feature before model fitting." help="(-min_isotope_fit)"/>
79 <param name="param_min_trace_score" type="float" min="0.0" max="1.0" optional="True" value="0.5" label="Trace score threshold.#br#Traces below this threshold are removed after the model fitting.#br#This parameter is important for features that overlap in m/z dimension." help="(-min_trace_score)"/>
80 <param name="param_min_rt_span" type="float" min="0.0" max="1.0" optional="True" value="0.333" label="Minimum RT span in relation to extended area that has to remain after model fitting." help="(-min_rt_span)"/>
81 <param name="param_max_rt_span" type="float" min="0.5" optional="True" value="2.5" label="Maximum RT span in relation to extended area that the model is allowed to have." help="(-max_rt_span)"/>
82 <param name="param_rt_shape" type="select" optional="True" value="symmetric" label="Choose model used for RT profile fitting. If set to symmetric a gauss shape is used, in case of asymmetric an EGH shape is used." help="(-rt_shape)">
83 <option value="symmetric">symmetric</option>
84 <option value="asymmetric">asymmetric</option>
85 </param> 145 </param>
86 <param name="param_max_intersection" type="float" min="0.0" max="1.0" optional="True" value="0.35" label="Maximum allowed intersection of features." help="(-max_intersection)"/> 146 <param help="(-rt_tolerance) " label="Allowed RT deviation of seeds from the user-specified seed position" min="0.0" name="param_algorithm_user_seed_rt_tolerance" optional="True" type="float" value="5.0"/>
87 </expand> 147 <param help="(-mz_tolerance) " label="Allowed m/z deviation of seeds from the user-specified seed position" min="0.0" name="param_algorithm_user_seed_mz_tolerance" optional="True" type="float" value="1.1"/>
88 </inputs> 148 <param help="(-min_score) The cutoff is typically a bit lower in this case" label="Overwrites 'seed:min_score' for user-specified seeds" max="1.0" min="0.0" name="param_algorithm_user_seed_min_score" optional="True" type="float" value="0.5"/>
89 <outputs> 149 <expand macro="advanced_options">
90 <data name="param_out" label="output file" format="featureXML"/> 150 <param checked="false" falsevalue="" help="(-force) " label="Overwrite tool specific checks" name="param_force" optional="True" truevalue="-force" type="boolean"/>
91 <data name="param_out_mzq" label="Optional output file of MzQuantML." format="data"/> 151 <param help="(-pseudo_rt_shift) " label="Pseudo RT shift used when" min="1.0" name="param_algorithm_debug_pseudo_rt_shift" optional="True" type="float" value="500.0"/>
92 </outputs> 152 <param help="(-intensity_percentage) " label="Isotopic peaks that contribute more than this percentage to the overall isotope pattern intensity must be present" max="100.0" min="0.0" name="param_algorithm_isotopic_pattern_intensity_percentage" optional="True" type="float" value="10.0"/>
93 <help>**What it does** 153 <param help="(-intensity_percentage_optional) " label="Isotopic peaks that contribute more than this percentage to the overall isotope pattern intensity can be missing" max="100.0" min="0.0" name="param_algorithm_isotopic_pattern_intensity_percentage_optional" optional="True" type="float" value="0.1"/>
94 154 <param help="(-optional_fit_improvement) " label="Minimal percental improvement of isotope fit to allow leaving out an optional peak" max="100.0" min="0.0" name="param_algorithm_isotopic_pattern_optional_fit_improvement" optional="True" type="float" value="2.0"/>
95 Detects two-dimensional features in LC-MS data. 155 <param help="(-mass_window_width) " label="Window width in Dalton for precalculation of estimated isotope distributions" max="200.0" min="1.0" name="param_algorithm_isotopic_pattern_mass_window_width" optional="True" type="float" value="25.0"/>
156 <param help="(-abundance_12C) abundance of the light carbon. Modify if labeled" label="Rel" max="100.0" min="0.0" name="param_algorithm_isotopic_pattern_abundance_12C" optional="True" type="float" value="98.93"/>
157 <param help="(-abundance_14N) abundance of the light nitrogen. Modify if labeled" label="Rel" max="100.0" min="0.0" name="param_algorithm_isotopic_pattern_abundance_14N" optional="True" type="float" value="99.632"/>
158 <param help="(-max_iterations) " label="Maximum number of iterations of the fit" min="1" name="param_algorithm_fit_max_iterations" optional="True" type="integer" value="500"/>
159 <param help="(-min_isotope_fit) " label="Minimum isotope fit of the feature before model fitting" max="1.0" min="0.0" name="param_algorithm_feature_min_isotope_fit" optional="True" type="float" value="0.8"/>
160 <param help="(-min_trace_score) &lt;br&gt;Traces below this threshold are removed after the model fitting. &lt;br&gt;This parameter is important for features that overlap in m/z dimension" label="Trace score threshold" max="1.0" min="0.0" name="param_algorithm_feature_min_trace_score" optional="True" type="float" value="0.5"/>
161 <param help="(-min_rt_span) " label="Minimum RT span in relation to extended area that has to remain after model fitting" max="1.0" min="0.0" name="param_algorithm_feature_min_rt_span" optional="True" type="float" value="0.333"/>
162 <param help="(-max_rt_span) " label="Maximum RT span in relation to extended area that the model is allowed to have" min="0.5" name="param_algorithm_feature_max_rt_span" optional="True" type="float" value="2.5"/>
163 <param help="(-rt_shape) If set to symmetric a gauss shape is used, in case of asymmetric an EGH shape is used" label="Choose model used for RT profile fitting" name="param_algorithm_feature_rt_shape" optional="True" type="select" value="symmetric">
164 <option value="symmetric">symmetric</option>
165 <option value="asymmetric">asymmetric</option>
166 </param>
167 <param help="(-max_intersection) " label="Maximum allowed intersection of features" max="1.0" min="0.0" name="param_algorithm_feature_max_intersection" optional="True" type="float" value="0.35"/>
168 </expand>
169 </inputs>
170 <outputs>
171 <data format="xml" name="param_out"/>
172 <data format="mzq" name="param_out_mzq"/>
173 </outputs>
174 <help>Detects two-dimensional features in LC-MS data.
96 175
97 176
98 For more information, visit http://ftp.mi.fu-berlin.de/OpenMS/release-documentation/html/TOPP_FeatureFinderCentroided.html 177 For more information, visit http://ftp.mi.fu-berlin.de/OpenMS/release-documentation/html/TOPP_FeatureFinderCentroided.html</help>
99 178 </tool>
100 @REFERENCES@
101 </help>
102 </tool>