MeltDBWiki/DatabaseSearch

Perform preprocessing methods using MeltDB: DatabaseSearch

• After logging in to MeltDB, navigate to your experiment or chromatogram.
• Select 'Run Analysis' from the list of possible actions.

• A list of applicable tools defined in your MeltDB project is presented. Select CosineGMD mass pectral sercah in the public Golm Metabolite Database.

• The job is submitted to a compute cluster and you can observe its progress via the 'Show job status' dialog.

• Open the respective job from the list and review the state of the computation. State 5 represents finished jobs, state 3 represents running and state 6 represents failed jobs. A message regarding the current status provides additional information.

• After the computation is finished, use e.g. the 'Show TIC' or 'Show 2D' action to review the computed peaks. MeltDB creates Observations for each peak having a mass spectrum which matches entries in the Golm Metabolite database. The closer the score is to 1.0, the more similiar are the mass spectra.