| Miscellaneous |
| Version lineage of this tool (guids ordered most recent to oldest) |
| toolshed.g2.bx.psu.edu/repos/computational-metabolomics/mspurity_createdatabase/mspurity_createdatabase/1.12.2+galaxy0 |
| toolshed.g2.bx.psu.edu/repos/computational-metabolomics/mspurity_createdatabase/mspurity_createdatabase/1.12.0+galaxy1 (this tool) |
| toolshed.g2.bx.psu.edu/repos/computational-metabolomics/mspurity_createdatabase/mspurity_createdatabase/1.12.0+galaxy0 |
| mspurity_createdatabase |
| Requirements (dependencies defined in the <requirements> tag set) |
| name | version | type |
| bioconductor-mspurity | 1.12.0 | package |
| bioconductor-camera | 1.42.0 | package |
| bioconductor-xcms | 3.8.0 | package |
| bioconductor-mspuritydata | 1.14.0 | package |
| r-optparse | 1.6.4 | package |
| r-rpostgres | 1.1.1 | package |
| r-rmysql | 0.10.17 | package |
| Functional tests |
| name | inputs | outputs | required files |
| Test-1 |
xset_xa: xset_group_LCMS_1_LCMS_2_LCMSMS_1_LCMSMS_2.RData file_load_conditional|file_load_select: yes pa: averageFragSpectra_output_all.RData camera_xcms: xcms file_load_conditional|input: list collection |
attributes: name |
xset_group_LCMS_1_LCMS_2_LCMSMS_1_LCMSMS_2.RData averageFragSpectra_output_all.RData LCMS_1.mzML LCMS_2.mzML LCMSMS_1.mzML LCMSMS_2.mzML name |
| Test-2 |
xset_xa: xset_group_LCMS_1_LCMS_2_LCMSMS_1_LCMSMS_2.RData eic: True pa: averageFragSpectra_output_all.RData file_load_conditional|input: list collection file_load_conditional|file_load_select: yes camera_xcms: xcms |
attributes: name |
xset_group_LCMS_1_LCMS_2_LCMSMS_1_LCMSMS_2.RData averageFragSpectra_output_all.RData LCMS_1.mzML LCMS_2.mzML LCMSMS_1.mzML LCMSMS_2.mzML name |