Repository revision
14:a3fc834f23ba

Repository 'openms_featurefindercentroided'
hg clone https://toolshed.g2.bx.psu.edu/repos/galaxyp/openms_featurefindercentroided

FeatureFinderCentroided tool metadata
Miscellaneous
Detects two-dimensional features in LC-MS data.
FeatureFinderCentroided
toolshed.g2.bx.psu.edu/repos/galaxyp/openms_featurefindercentroided/FeatureFinderCentroided/2.6+galaxy0
2.6+galaxy0
None
True
Version lineage of this tool (guids ordered most recent to oldest)
toolshed.g2.bx.psu.edu/repos/galaxyp/openms_featurefindercentroided/FeatureFinderCentroided/2.8+galaxy0
toolshed.g2.bx.psu.edu/repos/galaxyp/openms_featurefindercentroided/FeatureFinderCentroided/2.6+galaxy0 (this tool)
toolshed.g2.bx.psu.edu/repos/galaxyp/openms_featurefindercentroided/FeatureFinderCentroided/2.5+galaxy0
toolshed.g2.bx.psu.edu/repos/galaxyp/openms_featurefindercentroided/FeatureFinderCentroided/2.3.0
toolshed.g2.bx.psu.edu/repos/galaxyp/openms_featurefindercentroided/FeatureFinderCentroided/2.2.0
toolshed.g2.bx.psu.edu/repos/galaxyp/openms_featurefindercentroided/FeatureFinderCentroided/2.1.0
FeatureFinderCentroided
Requirements (dependencies defined in the <requirements> tag set)
name version type
openms 2.6 package
openms-thirdparty 2.6 package
blast 2.9.0 package
ctdopts 1.4 package
Functional tests
name inputs outputs required files
Test-1 in: FeatureFinderCentroided_1_input.mzML
algorithm|intensity|bins: 1
algorithm|mass_trace|mz_tolerance: 0.02
algorithm|mass_trace|min_spectra: 14
algorithm|mass_trace|max_missing: 1
algorithm|mass_trace|slope_bound: 0.1
algorithm|isotopic_pattern|charge_low: 2
algorithm|isotopic_pattern|charge_high: 2
algorithm|isotopic_pattern|mz_tolerance: 0.02
algorithm|isotopic_pattern|intensity_percentage: 10.0
algorithm|isotopic_pattern|intensity_percentage_optional: 0.1
algorithm|isotopic_pattern|optional_fit_improvement: 2.0
algorithm|isotopic_pattern|mass_window_width: 100.0
algorithm|isotopic_pattern|abundance_12C: 98.93
algorithm|isotopic_pattern|abundance_14N: 99.632
algorithm|seed|min_score: 0.8
algorithm|fit|max_iterations: 500
algorithm|feature|min_score: 0.7
algorithm|feature|min_isotope_fit: 0.8
algorithm|feature|min_trace_score: 0.5
algorithm|feature|min_rt_span: 0.333
algorithm|feature|max_rt_span: 2.5
algorithm|feature|rt_shape: symmetric
algorithm|feature|max_intersection: 0.35
algorithm|feature|reported_mz: monoisotopic
algorithm|user-seed|rt_tolerance: 5.0
algorithm|user-seed|mz_tolerance: 1.1
algorithm|user-seed|min_score: 0.5
adv_opts_cond|force: False
adv_opts_cond|test: true
adv_opts_cond|adv_opts_selector: advanced
OPTIONAL_OUTPUTS: ctd_out_FLAG
name: value
name: value
FeatureFinderCentroided_1_input.mzML
value