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METEXP - Tabular file (version 0.2.0)

RIQC-Combine RankFilter and CasLookup output:

Select the (multi) output file from the 'Combine RankFilter and CasLookup' tool

MusClust-quantification file output:

Select the output file from MsClust (centrotype, mic or sim) which also contain respective spectrum details

Organism(s) info:

Metadata information to accompany the results when stored in MetExp DB.

Tissue(s) info:

Metadata information to accompany the results when stored in MetExp DB.

Experiment name/code:

Name or code to store the results under. This can help you find the results back in MetExpDB.

User name:

User name or code to store the results under. This can help you find the results back in MetExpDB.

Column type:

Column type to report with the results. This can help you find the results back in MetExpDB.

Tool to combine output from the tools RankFilter, CasLookup and MsClust into a tabular file that can be uploaded to the METabolomics EXPlorer (MetExp) database.

RankFilter, CasLookup are already combined by 'RIQC-Combine RankFilter and CasLookup' tool so here we will use this result.

Notes

Extra calculations performed: - The columns MM and MW are also added here and are derived from the column FORMULA found in RankFilter, CasLookup combined result.

So in total here we merge 2 files and calculate one new column.