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Revision: 11:5690b9865216

Repository 'openms_featurelinkerunlabeledkd'

Clone this repository: hg clone https://toolshed.g2.bx.psu.edu/repos/galaxyp/openms_featurelinkerunlabeledkd

FeatureLinkerUnlabeledKD tool metadata

Miscellaneous

Name: FeatureLinkerUnlabeledKD

Description: Groups corresponding features from multiple maps.

Id: FeatureLinkerUnlabeledKD

Guid: toolshed.g2.bx.psu.edu/repos/galaxyp/openms_featurelinkerunlabeledkd/FeatureLinkerUnlabeledKD/2.6+galaxy0

Version: 2.6+galaxy0

Version command string: None

Display in tool panel: True

Version lineage of this tool (guids ordered most recent to oldest)

toolshed.g2.bx.psu.edu/repos/galaxyp/openms_featurelinkerunlabeledkd/FeatureLinkerUnlabeledKD/2.8+galaxy0

toolshed.g2.bx.psu.edu/repos/galaxyp/openms_featurelinkerunlabeledkd/FeatureLinkerUnlabeledKD/2.6+galaxy0 (this tool)

toolshed.g2.bx.psu.edu/repos/galaxyp/openms_featurelinkerunlabeledkd/FeatureLinkerUnlabeledKD/2.5+galaxy0

toolshed.g2.bx.psu.edu/repos/galaxyp/openms_featurelinkerunlabeledkd/FeatureLinkerUnlabeledKD/2.3.0

toolshed.g2.bx.psu.edu/repos/galaxyp/openms_featurelinkerunlabeledkd/FeatureLinkerUnlabeledKD/2.2.0

FeatureLinkerUnlabeledKD

Requirements (dependencies defined in the <requirements> tag set)

Requirements:

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: ['FeatureLinkerUnlabeled_1_input1.featureXML', 'FeatureLinkerUnlabeled_1_input2.featureXML', 'FeatureLinkerUnlabeled_1_input3.featureXML']
keep_subelements: False
algorithm|mz_unit: Da
algorithm|nr_partitions: 1
algorithm|warp|enabled: False
algorithm|warp|rt_tol: 100.0
algorithm|warp|mz_tol: 0.3
algorithm|warp|max_pairwise_log_fc: 0.5
algorithm|warp|min_rel_cc_size: 0.5
algorithm|warp|max_nr_conflicts: 0
algorithm|link|rt_tol: 100.0
algorithm|link|mz_tol: 0.3
algorithm|link|charge_merging: With_charge_zero
algorithm|link|adduct_merging: Any
algorithm|distance_RT|exponent: 1.0
algorithm|distance_RT|weight: 1.0
algorithm|distance_MZ|exponent: 2.0
algorithm|distance_MZ|weight: 1.0
algorithm|distance_intensity|exponent: 1.0
algorithm|distance_intensity|weight: 1.0
algorithm|distance_intensity|log_transform: enabled
algorithm|LOWESS|span: 0.666666666666667
algorithm|LOWESS|num_iterations: 3
algorithm|LOWESS|delta: -1.0
algorithm|LOWESS|interpolation_type: cspline
algorithm|LOWESS|extrapolation_type: four-point-linear
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

FeatureLinkerUnlabeled_1_input1.featureXML
FeatureLinkerUnlabeled_1_input2.featureXML
FeatureLinkerUnlabeled_1_input3.featureXML
value

Test-2

in: ['FeatureLinkerUnlabeledKD_1_output.consensusXML', 'FeatureLinkerUnlabeledKD_1_output_2.consensusXML']
keep_subelements: True
algorithm|mz_unit: Da
algorithm|nr_partitions: 99999
algorithm|warp|enabled: False
algorithm|warp|rt_tol: 100.0
algorithm|warp|mz_tol: 0.3
algorithm|warp|max_pairwise_log_fc: 0.5
algorithm|warp|min_rel_cc_size: 0.5
algorithm|warp|max_nr_conflicts: 0
algorithm|link|rt_tol: 100.0
algorithm|link|mz_tol: 0.3
algorithm|link|charge_merging: With_charge_zero
algorithm|link|adduct_merging: Any
algorithm|distance_RT|exponent: 1.0
algorithm|distance_RT|weight: 1.0
algorithm|distance_MZ|exponent: 2.0
algorithm|distance_MZ|weight: 1.0
algorithm|distance_intensity|exponent: 1.0
algorithm|distance_intensity|weight: 1.0
algorithm|distance_intensity|log_transform: enabled
algorithm|LOWESS|span: 0.666666666666667
algorithm|LOWESS|num_iterations: 3
algorithm|LOWESS|delta: -1.0
algorithm|LOWESS|interpolation_type: cspline
algorithm|LOWESS|extrapolation_type: four-point-linear
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

FeatureLinkerUnlabeledKD_1_output.consensusXML
FeatureLinkerUnlabeledKD_1_output_2.consensusXML
value

Test-3

in: ['FeatureLinkerUnlabeledQT_3_input1.featureXML', 'FeatureLinkerUnlabeledQT_3_input2.featureXML']
keep_subelements: False
algorithm|mz_unit: Da
algorithm|nr_partitions: 100
algorithm|warp|enabled: False
algorithm|warp|rt_tol: 100.0
algorithm|warp|mz_tol: 0.3
algorithm|warp|max_pairwise_log_fc: 0.5
algorithm|warp|min_rel_cc_size: 0.5
algorithm|warp|max_nr_conflicts: 0
algorithm|link|rt_tol: 100.0
algorithm|link|mz_tol: 0.3
algorithm|link|charge_merging: With_charge_zero
algorithm|link|adduct_merging: Any
algorithm|distance_RT|exponent: 1.0
algorithm|distance_RT|weight: 1.0
algorithm|distance_MZ|exponent: 2.0
algorithm|distance_MZ|weight: 1.0
algorithm|distance_intensity|exponent: 1.0
algorithm|distance_intensity|weight: 1.0
algorithm|distance_intensity|log_transform: enabled
algorithm|LOWESS|span: 0.666666666666667
algorithm|LOWESS|num_iterations: 3
algorithm|LOWESS|delta: -1.0
algorithm|LOWESS|interpolation_type: cspline
algorithm|LOWESS|extrapolation_type: four-point-linear
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

FeatureLinkerUnlabeledQT_3_input1.featureXML
FeatureLinkerUnlabeledQT_3_input2.featureXML
value

Test-4

in: ['FeatureLinkerUnlabeledKD_dc_input1.featureXML', 'FeatureLinkerUnlabeledKD_dc_input2.featureXML', 'FeatureLinkerUnlabeledKD_dc_input3.featureXML', 'FeatureLinkerUnlabeledKD_dc_input1_2.featureXML', 'FeatureLinkerUnlabeledKD_dc_input2_2.featureXML']
keep_subelements: False
algorithm|mz_unit: ppm
algorithm|nr_partitions: 100
algorithm|warp|enabled: True
algorithm|warp|rt_tol: 100.0
algorithm|warp|mz_tol: 5.0
algorithm|warp|max_pairwise_log_fc: 0.5
algorithm|warp|min_rel_cc_size: 0.5
algorithm|warp|max_nr_conflicts: 0
algorithm|link|rt_tol: 30.0
algorithm|link|mz_tol: 10.0
algorithm|link|charge_merging: Identical
algorithm|link|adduct_merging: Any
algorithm|distance_RT|exponent: 1.0
algorithm|distance_RT|weight: 1.0
algorithm|distance_MZ|exponent: 2.0
algorithm|distance_MZ|weight: 1.0
algorithm|distance_intensity|exponent: 1.0
algorithm|distance_intensity|weight: 1.0
algorithm|distance_intensity|log_transform: enabled
algorithm|LOWESS|span: 0.666666666666667
algorithm|LOWESS|num_iterations: 3
algorithm|LOWESS|delta: -1.0
algorithm|LOWESS|interpolation_type: cspline
algorithm|LOWESS|extrapolation_type: four-point-linear
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

FeatureLinkerUnlabeledKD_dc_input1.featureXML
FeatureLinkerUnlabeledKD_dc_input2.featureXML
FeatureLinkerUnlabeledKD_dc_input3.featureXML
FeatureLinkerUnlabeledKD_dc_input1_2.featureXML
FeatureLinkerUnlabeledKD_dc_input2_2.featureXML
value

Test-5

in: ['FeatureLinkerUnlabeledKD_dc_input1.featureXML', 'FeatureLinkerUnlabeledKD_dc_input2.featureXML', 'FeatureLinkerUnlabeledKD_dc_input3.featureXML', 'FeatureLinkerUnlabeledKD_dc_input1_2.featureXML', 'FeatureLinkerUnlabeledKD_dc_input2_2.featureXML']
keep_subelements: False
algorithm|mz_unit: ppm
algorithm|nr_partitions: 100
algorithm|warp|enabled: True
algorithm|warp|rt_tol: 100.0
algorithm|warp|mz_tol: 5.0
algorithm|warp|max_pairwise_log_fc: 0.5
algorithm|warp|min_rel_cc_size: 0.5
algorithm|warp|max_nr_conflicts: 0
algorithm|link|rt_tol: 30.0
algorithm|link|mz_tol: 10.0
algorithm|link|charge_merging: With_charge_zero
algorithm|link|adduct_merging: Any
algorithm|distance_RT|exponent: 1.0
algorithm|distance_RT|weight: 1.0
algorithm|distance_MZ|exponent: 2.0
algorithm|distance_MZ|weight: 1.0
algorithm|distance_intensity|exponent: 1.0
algorithm|distance_intensity|weight: 1.0
algorithm|distance_intensity|log_transform: enabled
algorithm|LOWESS|span: 0.666666666666667
algorithm|LOWESS|num_iterations: 3
algorithm|LOWESS|delta: -1.0
algorithm|LOWESS|interpolation_type: cspline
algorithm|LOWESS|extrapolation_type: four-point-linear
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

FeatureLinkerUnlabeledKD_dc_input1.featureXML
FeatureLinkerUnlabeledKD_dc_input2.featureXML
FeatureLinkerUnlabeledKD_dc_input3.featureXML
FeatureLinkerUnlabeledKD_dc_input1_2.featureXML
FeatureLinkerUnlabeledKD_dc_input2_2.featureXML
value

Test-6

in: ['FeatureLinkerUnlabeledKD_dc_input1.featureXML', 'FeatureLinkerUnlabeledKD_dc_input2.featureXML', 'FeatureLinkerUnlabeledKD_dc_input3.featureXML', 'FeatureLinkerUnlabeledKD_dc_input1_2.featureXML', 'FeatureLinkerUnlabeledKD_dc_input2_2.featureXML']
keep_subelements: False
algorithm|mz_unit: ppm
algorithm|nr_partitions: 100
algorithm|warp|enabled: True
algorithm|warp|rt_tol: 100.0
algorithm|warp|mz_tol: 5.0
algorithm|warp|max_pairwise_log_fc: 0.5
algorithm|warp|min_rel_cc_size: 0.5
algorithm|warp|max_nr_conflicts: 0
algorithm|link|rt_tol: 30.0
algorithm|link|mz_tol: 10.0
algorithm|link|charge_merging: Any
algorithm|link|adduct_merging: With_unknown_adducts
algorithm|distance_RT|exponent: 1.0
algorithm|distance_RT|weight: 1.0
algorithm|distance_MZ|exponent: 2.0
algorithm|distance_MZ|weight: 1.0
algorithm|distance_intensity|exponent: 1.0
algorithm|distance_intensity|weight: 1.0
algorithm|distance_intensity|log_transform: enabled
algorithm|LOWESS|span: 0.666666666666667
algorithm|LOWESS|num_iterations: 3
algorithm|LOWESS|delta: -1.0
algorithm|LOWESS|interpolation_type: cspline
algorithm|LOWESS|extrapolation_type: four-point-linear
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

FeatureLinkerUnlabeledKD_dc_input1.featureXML
FeatureLinkerUnlabeledKD_dc_input2.featureXML
FeatureLinkerUnlabeledKD_dc_input3.featureXML
FeatureLinkerUnlabeledKD_dc_input1_2.featureXML
FeatureLinkerUnlabeledKD_dc_input2_2.featureXML
value

Test-7

in: ['FeatureLinkerUnlabeledKD_dc_input1.featureXML', 'FeatureLinkerUnlabeledKD_dc_input2.featureXML', 'FeatureLinkerUnlabeledKD_dc_input3.featureXML', 'FeatureLinkerUnlabeledKD_dc_input1_2.featureXML', 'FeatureLinkerUnlabeledKD_dc_input2_2.featureXML']
keep_subelements: False
algorithm|mz_unit: ppm
algorithm|nr_partitions: 100
algorithm|warp|enabled: True
algorithm|warp|rt_tol: 100.0
algorithm|warp|mz_tol: 5.0
algorithm|warp|max_pairwise_log_fc: 0.5
algorithm|warp|min_rel_cc_size: 0.5
algorithm|warp|max_nr_conflicts: 0
algorithm|link|rt_tol: 30.0
algorithm|link|mz_tol: 10.0
algorithm|link|charge_merging: Any
algorithm|link|adduct_merging: Identical
algorithm|distance_RT|exponent: 1.0
algorithm|distance_RT|weight: 1.0
algorithm|distance_MZ|exponent: 2.0
algorithm|distance_MZ|weight: 1.0
algorithm|distance_intensity|exponent: 1.0
algorithm|distance_intensity|weight: 1.0
algorithm|distance_intensity|log_transform: enabled
algorithm|LOWESS|span: 0.666666666666667
algorithm|LOWESS|num_iterations: 3
algorithm|LOWESS|delta: -1.0
algorithm|LOWESS|interpolation_type: cspline
algorithm|LOWESS|extrapolation_type: four-point-linear
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

FeatureLinkerUnlabeledKD_dc_input1.featureXML
FeatureLinkerUnlabeledKD_dc_input2.featureXML
FeatureLinkerUnlabeledKD_dc_input3.featureXML
FeatureLinkerUnlabeledKD_dc_input1_2.featureXML
FeatureLinkerUnlabeledKD_dc_input2_2.featureXML
value