Miscellaneous |
Version lineage of this tool (guids ordered most recent to oldest) |
toolshed.g2.bx.psu.edu/repos/galaxyp/openms_mapalignerposeclustering/MapAlignerPoseClustering/2.8+galaxy0 |
toolshed.g2.bx.psu.edu/repos/galaxyp/openms_mapalignerposeclustering/MapAlignerPoseClustering/2.6+galaxy0 (this tool) |
toolshed.g2.bx.psu.edu/repos/galaxyp/openms_mapalignerposeclustering/MapAlignerPoseClustering/2.5+galaxy0 |
toolshed.g2.bx.psu.edu/repos/galaxyp/openms_mapalignerposeclustering/MapAlignerPoseClustering/2.3.0 |
toolshed.g2.bx.psu.edu/repos/galaxyp/openms_mapalignerposeclustering/MapAlignerPoseClustering/2.2.0 |
MapAlignerPoseClustering |
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: ['MapAlignerPoseClustering_1_input1.featureXML', 'MapAlignerPoseClustering_1_input2.featureXML', 'MapAlignerPoseClustering_1_input3.featureXML'] reference|index: 0 algorithm|max_num_peaks_considered: 400 algorithm|superimposer|mz_pair_max_distance: 0.5 algorithm|superimposer|rt_pair_distance_fraction: 0.1 algorithm|superimposer|num_used_points: 2000 algorithm|superimposer|scaling_bucket_size: 0.005 algorithm|superimposer|shift_bucket_size: 3.0 algorithm|superimposer|max_shift: 1000.0 algorithm|superimposer|max_scaling: 2.0 algorithm|superimposer|dump_buckets: algorithm|superimposer|dump_pairs: algorithm|pairfinder|second_nearest_gap: 2.0 algorithm|pairfinder|use_identifications: False algorithm|pairfinder|ignore_charge: True algorithm|pairfinder|ignore_adduct: True algorithm|pairfinder|distance_RT|max_difference: 30.0 algorithm|pairfinder|distance_RT|exponent: 1.0 algorithm|pairfinder|distance_RT|weight: 1.0 algorithm|pairfinder|distance_MZ|max_difference: 0.3 algorithm|pairfinder|distance_MZ|unit: Da algorithm|pairfinder|distance_MZ|exponent: 2.0 algorithm|pairfinder|distance_MZ|weight: 1.0 algorithm|pairfinder|distance_intensity|exponent: 1.0 algorithm|pairfinder|distance_intensity|weight: 0.0 algorithm|pairfinder|distance_intensity|log_transform: disabled adv_opts_cond|force: False adv_opts_cond|test: true adv_opts_cond|adv_opts_selector: advanced OPTIONAL_OUTPUTS: ['ctd_out_FLAG', 'out_FLAG', 'trafo_out_FLAG'] |
name: value |
MapAlignerPoseClustering_1_input1.featureXML MapAlignerPoseClustering_1_input2.featureXML MapAlignerPoseClustering_1_input3.featureXML value |
Test-2 |
in: ['MapAlignerPoseClustering_2_input1.mzML', 'MapAlignerPoseClustering_2_input2.mzML', 'MapAlignerPoseClustering_2_input3.mzML'] reference|index: 0 algorithm|max_num_peaks_considered: 400 algorithm|superimposer|mz_pair_max_distance: 0.5 algorithm|superimposer|rt_pair_distance_fraction: 0.1 algorithm|superimposer|num_used_points: 2000 algorithm|superimposer|scaling_bucket_size: 0.005 algorithm|superimposer|shift_bucket_size: 3.0 algorithm|superimposer|max_shift: 1000.0 algorithm|superimposer|max_scaling: 2.0 algorithm|superimposer|dump_buckets: algorithm|superimposer|dump_pairs: algorithm|pairfinder|second_nearest_gap: 2.0 algorithm|pairfinder|use_identifications: False algorithm|pairfinder|ignore_charge: False algorithm|pairfinder|ignore_adduct: True algorithm|pairfinder|distance_RT|max_difference: 100.0 algorithm|pairfinder|distance_RT|exponent: 1.0 algorithm|pairfinder|distance_RT|weight: 1.0 algorithm|pairfinder|distance_MZ|max_difference: 0.3 algorithm|pairfinder|distance_MZ|unit: Da algorithm|pairfinder|distance_MZ|exponent: 2.0 algorithm|pairfinder|distance_MZ|weight: 1.0 algorithm|pairfinder|distance_intensity|exponent: 1.0 algorithm|pairfinder|distance_intensity|weight: 0.0 algorithm|pairfinder|distance_intensity|log_transform: disabled adv_opts_cond|force: False adv_opts_cond|test: true adv_opts_cond|adv_opts_selector: advanced OPTIONAL_OUTPUTS: ['ctd_out_FLAG', 'out_FLAG'] |
name: value |
MapAlignerPoseClustering_2_input1.mzML MapAlignerPoseClustering_2_input2.mzML MapAlignerPoseClustering_2_input3.mzML value |
Test-3 |
in: ['MapAlignerPoseClustering_1_input2.featureXML', 'MapAlignerPoseClustering_1_input3.featureXML'] reference|file: MapAlignerPoseClustering_1_input1.featureXML reference|index: 0 algorithm|max_num_peaks_considered: 400 algorithm|superimposer|mz_pair_max_distance: 0.5 algorithm|superimposer|rt_pair_distance_fraction: 0.1 algorithm|superimposer|num_used_points: 2000 algorithm|superimposer|scaling_bucket_size: 0.005 algorithm|superimposer|shift_bucket_size: 3.0 algorithm|superimposer|max_shift: 1000.0 algorithm|superimposer|max_scaling: 2.0 algorithm|superimposer|dump_buckets: algorithm|superimposer|dump_pairs: algorithm|pairfinder|second_nearest_gap: 2.0 algorithm|pairfinder|use_identifications: False algorithm|pairfinder|ignore_charge: True algorithm|pairfinder|ignore_adduct: True algorithm|pairfinder|distance_RT|max_difference: 30.0 algorithm|pairfinder|distance_RT|exponent: 1.0 algorithm|pairfinder|distance_RT|weight: 1.0 algorithm|pairfinder|distance_MZ|max_difference: 0.3 algorithm|pairfinder|distance_MZ|unit: Da algorithm|pairfinder|distance_MZ|exponent: 2.0 algorithm|pairfinder|distance_MZ|weight: 1.0 algorithm|pairfinder|distance_intensity|exponent: 1.0 algorithm|pairfinder|distance_intensity|weight: 0.0 algorithm|pairfinder|distance_intensity|log_transform: disabled adv_opts_cond|force: False adv_opts_cond|test: true adv_opts_cond|adv_opts_selector: advanced OPTIONAL_OUTPUTS: ['ctd_out_FLAG', 'out_FLAG'] |
name: value |
MapAlignerPoseClustering_1_input2.featureXML MapAlignerPoseClustering_1_input3.featureXML MapAlignerPoseClustering_1_input1.featureXML value |
Test-4 |
in: ['MapAlignerPoseClustering_1_input1.featureXML', 'MapAlignerPoseClustering_1_input2.featureXML'] reference|index: 2 algorithm|max_num_peaks_considered: 400 algorithm|superimposer|mz_pair_max_distance: 0.5 algorithm|superimposer|rt_pair_distance_fraction: 0.1 algorithm|superimposer|num_used_points: 2000 algorithm|superimposer|scaling_bucket_size: 0.005 algorithm|superimposer|shift_bucket_size: 3.0 algorithm|superimposer|max_shift: 1000.0 algorithm|superimposer|max_scaling: 2.0 algorithm|superimposer|dump_buckets: algorithm|superimposer|dump_pairs: algorithm|pairfinder|second_nearest_gap: 2.0 algorithm|pairfinder|use_identifications: False algorithm|pairfinder|ignore_charge: True algorithm|pairfinder|ignore_adduct: True algorithm|pairfinder|distance_RT|max_difference: 30.0 algorithm|pairfinder|distance_RT|exponent: 1.0 algorithm|pairfinder|distance_RT|weight: 1.0 algorithm|pairfinder|distance_MZ|max_difference: 0.3 algorithm|pairfinder|distance_MZ|unit: Da algorithm|pairfinder|distance_MZ|exponent: 2.0 algorithm|pairfinder|distance_MZ|weight: 1.0 algorithm|pairfinder|distance_intensity|exponent: 1.0 algorithm|pairfinder|distance_intensity|weight: 0.0 algorithm|pairfinder|distance_intensity|log_transform: disabled adv_opts_cond|force: False adv_opts_cond|test: true adv_opts_cond|adv_opts_selector: advanced OPTIONAL_OUTPUTS: ['ctd_out_FLAG', 'trafo_out_FLAG'] |
name: value |
MapAlignerPoseClustering_1_input1.featureXML MapAlignerPoseClustering_1_input2.featureXML value |