| Miscellaneous |
| Version lineage of this tool (guids ordered most recent to oldest) |
| toolshed.g2.bx.psu.edu/repos/computational-metabolomics/mspurity_createmsp/mspurity_createmsp/1.12.2+galaxy0 |
| toolshed.g2.bx.psu.edu/repos/computational-metabolomics/mspurity_createmsp/mspurity_createmsp/1.12.0+galaxy1 (this tool) |
| toolshed.g2.bx.psu.edu/repos/computational-metabolomics/mspurity_createmsp/mspurity_createmsp/1.12.0+galaxy0 |
| mspurity_createmsp |
| 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 |
rdata_input: averageFragSpectra_output_all.RData xcms_group_cond|xcms_group_select: True xcms_group_cond|xcms_groupids: 8,12 metadata_cond|metadata: createMSP_input_metadata.tsv metadata_cond|metadata_select: True method: av_all |
attributes: name |
averageFragSpectra_output_all.RData createMSP_input_metadata.tsv name |