Repository revision
15:a12a392cc85f

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

AccurateMassSearch tool metadata
Miscellaneous
Match MS signals to molecules from a database by mass.
AccurateMassSearch
toolshed.g2.bx.psu.edu/repos/galaxyp/openms_accuratemasssearch/AccurateMassSearch/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_accuratemasssearch/AccurateMassSearch/2.8+galaxy0
toolshed.g2.bx.psu.edu/repos/galaxyp/openms_accuratemasssearch/AccurateMassSearch/2.6+galaxy0 (this tool)
toolshed.g2.bx.psu.edu/repos/galaxyp/openms_accuratemasssearch/AccurateMassSearch/2.5+galaxy0
toolshed.g2.bx.psu.edu/repos/galaxyp/openms_accuratemasssearch/AccurateMassSearch/2.3.0
toolshed.g2.bx.psu.edu/repos/galaxyp/openms_accuratemasssearch/AccurateMassSearch/2.2.0
toolshed.g2.bx.psu.edu/repos/galaxyp/openms_accuratemasssearch/AccurateMassSearch/2.1.0
AccurateMassSearch
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: ConsensusMapNormalizer_input.consensusXML
positive_adducts: CHEMISTRY/PositiveAdducts.tsv
negative_adducts: CHEMISTRY/NegativeAdducts.tsv
db|mapping: CHEMISTRY/HMDBMappingFile.tsv
db|struct: CHEMISTRY/HMDB2StructMapping.tsv
algorithm|mass_error_value: 5.0
algorithm|mass_error_unit: ppm
algorithm|ionization_mode: positive
algorithm|isotopic_similarity: False
algorithm|use_feature_adducts: False
algorithm|keep_unidentified_masses: False
algorithm|mzTab|exportIsotopeIntensities: False
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
ConsensusMapNormalizer_input.consensusXML
CHEMISTRY/PositiveAdducts.tsv
CHEMISTRY/NegativeAdducts.tsv
CHEMISTRY/HMDBMappingFile.tsv
CHEMISTRY/HMDB2StructMapping.tsv
value
Test-2 in: AccurateMassSearch_2_input.featureXML
positive_adducts: AMS_PositiveAdducts.tsv
negative_adducts: AMS_NegativeAdducts.tsv
db|mapping: AMS_test_Mapping.tsv
db|struct: AMS_test_Struct.tsv
algorithm|mass_error_value: 5.0
algorithm|mass_error_unit: ppm
algorithm|ionization_mode: positive
algorithm|isotopic_similarity: False
algorithm|use_feature_adducts: False
algorithm|keep_unidentified_masses: False
algorithm|mzTab|exportIsotopeIntensities: True
adv_opts_cond|force: False
adv_opts_cond|test: true
adv_opts_cond|adv_opts_selector: advanced
OPTIONAL_OUTPUTS: ['ctd_out_FLAG', 'out_annotation_FLAG']
name: value
name: value
name: value
AccurateMassSearch_2_input.featureXML
AMS_PositiveAdducts.tsv
AMS_NegativeAdducts.tsv
AMS_test_Mapping.tsv
AMS_test_Struct.tsv
value
Test-3 in: AccurateMassSearch_2_input.featureXML
positive_adducts: AMS_PositiveAdducts.tsv
negative_adducts: AMS_NegativeAdducts.tsv
db|mapping: AMS_test_Mapping.tsv
db|struct: AMS_test_Struct.tsv
algorithm|mass_error_value: 5.0
algorithm|mass_error_unit: ppm
algorithm|ionization_mode: positive
algorithm|isotopic_similarity: False
algorithm|use_feature_adducts: False
algorithm|keep_unidentified_masses: False
algorithm|mzTab|exportIsotopeIntensities: False
adv_opts_cond|force: False
adv_opts_cond|test: true
adv_opts_cond|adv_opts_selector: advanced
OPTIONAL_OUTPUTS: ['ctd_out_FLAG', 'out_annotation_FLAG']
name: value
name: value
name: value
AccurateMassSearch_2_input.featureXML
AMS_PositiveAdducts.tsv
AMS_NegativeAdducts.tsv
AMS_test_Mapping.tsv
AMS_test_Struct.tsv
value