Repository revision
7:aa59a8d5dbb5

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

MetaboliteAdductDecharger tool metadata
Miscellaneous
Decharges and merges different feature charge variants of the same metabolite.
MetaboliteAdductDecharger
toolshed.g2.bx.psu.edu/repos/galaxyp/openms_metaboliteadductdecharger/MetaboliteAdductDecharger/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_metaboliteadductdecharger/MetaboliteAdductDecharger/2.8+galaxy0
toolshed.g2.bx.psu.edu/repos/galaxyp/openms_metaboliteadductdecharger/MetaboliteAdductDecharger/2.6+galaxy0 (this tool)
toolshed.g2.bx.psu.edu/repos/galaxyp/openms_metaboliteadductdecharger/MetaboliteAdductDecharger/2.5+galaxy0
toolshed.g2.bx.psu.edu/repos/galaxyp/openms_metaboliteadductdecharger/MetaboliteAdductDecharger/2.3.0
MetaboliteAdductDecharger
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: MetaboliteAdductDecharger_input.featureXML
algorithm|MetaboliteFeatureDeconvolution|charge_min: 1
algorithm|MetaboliteFeatureDeconvolution|charge_max: 3
algorithm|MetaboliteFeatureDeconvolution|charge_span_max: 3
algorithm|MetaboliteFeatureDeconvolution|q_try: feature
algorithm|MetaboliteFeatureDeconvolution|retention_max_diff: 1.0
algorithm|MetaboliteFeatureDeconvolution|retention_max_diff_local: 1.0
algorithm|MetaboliteFeatureDeconvolution|mass_max_diff: 0.05
algorithm|MetaboliteFeatureDeconvolution|unit: Da
algorithm|MetaboliteFeatureDeconvolution|potential_adducts: "H:+:0.4" "Na:+:0.25" "NH4:+:0.25" "K:+:0.1" "H-2O-1:0:0.05"
algorithm|MetaboliteFeatureDeconvolution|max_neutrals: 1
algorithm|MetaboliteFeatureDeconvolution|use_minority_bound: true
algorithm|MetaboliteFeatureDeconvolution|max_minority_bound: 3
algorithm|MetaboliteFeatureDeconvolution|min_rt_overlap: 0.66
algorithm|MetaboliteFeatureDeconvolution|intensity_filter: False
algorithm|MetaboliteFeatureDeconvolution|negative_mode: false
algorithm|MetaboliteFeatureDeconvolution|default_map_label: decharged features
algorithm|MetaboliteFeatureDeconvolution|verbose_level: 0
adv_opts_cond|force: False
adv_opts_cond|test: true
adv_opts_cond|adv_opts_selector: advanced
OPTIONAL_OUTPUTS: ['ctd_out_FLAG', 'out_fm_FLAG']
name: value
name: value
MetaboliteAdductDecharger_input.featureXML
value
Test-2 in: MetaboliteAdductDecharger_input.featureXML
algorithm|MetaboliteFeatureDeconvolution|charge_min: 1
algorithm|MetaboliteFeatureDeconvolution|charge_max: 3
algorithm|MetaboliteFeatureDeconvolution|charge_span_max: 3
algorithm|MetaboliteFeatureDeconvolution|q_try: feature
algorithm|MetaboliteFeatureDeconvolution|retention_max_diff: 1.0
algorithm|MetaboliteFeatureDeconvolution|retention_max_diff_local: 1.0
algorithm|MetaboliteFeatureDeconvolution|mass_max_diff: 0.05
algorithm|MetaboliteFeatureDeconvolution|unit: Da
algorithm|MetaboliteFeatureDeconvolution|potential_adducts: "H:+:0.4" "Na:+:0.25" "NH4:+:0.25" "K:+:0.1" "H-2O-1:0:0.05"
algorithm|MetaboliteFeatureDeconvolution|max_neutrals: 1
algorithm|MetaboliteFeatureDeconvolution|use_minority_bound: true
algorithm|MetaboliteFeatureDeconvolution|max_minority_bound: 3
algorithm|MetaboliteFeatureDeconvolution|min_rt_overlap: 0.66
algorithm|MetaboliteFeatureDeconvolution|intensity_filter: False
algorithm|MetaboliteFeatureDeconvolution|negative_mode: false
algorithm|MetaboliteFeatureDeconvolution|default_map_label: decharged features
algorithm|MetaboliteFeatureDeconvolution|verbose_level: 0
adv_opts_cond|force: False
adv_opts_cond|test: true
adv_opts_cond|adv_opts_selector: advanced
OPTIONAL_OUTPUTS: ['ctd_out_FLAG', 'out_cm_FLAG', 'outpairs_FLAG']
name: value
name: value
name: value
MetaboliteAdductDecharger_input.featureXML
value