| Miscellaneous |
| Version lineage of this tool (guids ordered most recent to oldest) |
| toolshed.g2.bx.psu.edu/repos/galaxyp/openms_metaboliteadductdecharger/MetaboliteAdductDecharger/2.8+galaxy0 (this tool) |
| toolshed.g2.bx.psu.edu/repos/galaxyp/openms_metaboliteadductdecharger/MetaboliteAdductDecharger/2.6+galaxy0 |
| 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 | 2.8 | package |
| openms-thirdparty | 2.8 | package |
| omssa | 2.1.9 | package |
| blast | 2.13.0 | 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|force: False adv_opts|test: true 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|force: False adv_opts|test: true OPTIONAL_OUTPUTS: ['ctd_out_FLAG', 'out_cm_FLAG', 'outpairs_FLAG'] |
name: value name: value name: value |
MetaboliteAdductDecharger_input.featureXML value |