| This toolset consists of custom tools to enable metabolite identifications and
Retention Index (RI) based Quality Control (RIQC) for Mass Spectrometry metabolomics data. |
| Repository prims_metabolomics_r_dependencies revision 4b30bdaf4dbd owned by pieterlukasse (prior install required) |
| Name | Version | Type | |
|---|---|---|---|
| R_bioc_metams | 3.1.1 | package | |
| Name | Description | Version | Minimum Galaxy Version |
|---|---|---|---|
| Runs metaMS process for LC/MS feature picking, aligning and grouping | 0.0.4 | any | |
| Query multiple public repositories for elemental compositions from accurate mass values detected by high-resolution mass spectrometers | 0.1.0 | any | |
| Runs metaMS process for LC/MS feature annotation | 0.0.4 | any | |
| Generate coefficients to enable the regression from one GC-column to another GC-column | 1.0.2 | any | |
| Extracts EICs for a given list of masses | 0.0.4 | any | |
| Runs xcms diffreport function for differential Analsysis | 0.0.4 | any | |
| Extracts alignment EICs from feature alignment data | 0.0.4 | any | |
| Filter on the Rank field in the RankFilter output file | 1.0.2 | any | |
| Convert Retention Time to Retention Index | 1.0.2 | any | |
| Create tabular file for loading into METabolomics EXPlorer database | 0.2.0 | any | |
| Lookup or estimate the RI using a "known RI values" CAS numbers library | 1.0.2 | any | |
| Convert NIST text to tabular format | 1.0.2 | any | |
| Perform a combination of output data from the RankFilter and CasLookup tools | 1.0.2 | any | |
| Query a set of identifications against the METabolomics EXPeriments database | 0.1.0 | any | |