| Miscellaneous |
| Version lineage of this tool (guids ordered most recent to oldest) |
| toolshed.g2.bx.psu.edu/repos/galaxyp/openms_internalcalibration/InternalCalibration/3.1+galaxy0 |
| toolshed.g2.bx.psu.edu/repos/galaxyp/openms_internalcalibration/InternalCalibration/2.8+galaxy0 (this tool) |
| toolshed.g2.bx.psu.edu/repos/galaxyp/openms_internalcalibration/InternalCalibration/2.6+galaxy0 |
| toolshed.g2.bx.psu.edu/repos/galaxyp/openms_internalcalibration/InternalCalibration/2.5+galaxy0 |
| toolshed.g2.bx.psu.edu/repos/galaxyp/openms_internalcalibration/InternalCalibration/2.3.0 |
| toolshed.g2.bx.psu.edu/repos/galaxyp/openms_internalcalibration/InternalCalibration/2.2.0.1 |
| toolshed.g2.bx.psu.edu/repos/galaxyp/openms_internalcalibration/InternalCalibration/2.1.0 |
| InternalCalibration |
| 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: InternalCalibration_1_BSA1.mzML ppm_match_tolerance: 25.0 ms_level: 1 RT_chunking: -1.0 cal|id_in: InternalCalibration_1_BSA1_OMSSA.idXML cal|lock_require_mono: False cal|lock_require_iso: False cal|model_type: linear RANSAC|enabled: True RANSAC|threshold: 1.0 RANSAC|pc_inliers: 30 RANSAC|iter: 500 goodness|median: 4.0 goodness|MAD: 2.0 adv_opts|force: False adv_opts|test: true OPTIONAL_OUTPUTS: ['ctd_out_FLAG', 'models_FLAG', 'residuals_FLAG'] |
name: value name: value name: value name: value |
InternalCalibration_1_BSA1.mzML InternalCalibration_1_BSA1_OMSSA.idXML value |
| Test-2 |
in: InternalCalibration_2_lockmass.mzML.gz ppm_match_tolerance: 25.0 ms_level: 1 2 3 RT_chunking: 60.0 cal|lock_in: InternalCalibration_2_lock.csv cal|lock_require_mono: True cal|lock_require_iso: False cal|model_type: linear RANSAC|enabled: False RANSAC|threshold: 10.0 RANSAC|pc_inliers: 30 RANSAC|iter: 70 goodness|median: 4.0 goodness|MAD: 2.0 adv_opts|force: False adv_opts|test: true OPTIONAL_OUTPUTS: ['ctd_out_FLAG', 'models_FLAG', 'residuals_FLAG'] |
name: value name: value name: value name: value |
InternalCalibration_2_lockmass.mzML.gz InternalCalibration_2_lock.csv value |