Batch, autoprocess and WebMetabase connection
MassChemSite provides multiple ways to automate the analysis of the experimental data.
- Sample List: The user can start the computation from a MassChemSite sample list that can be manually or WebChembase generated. The sample list is used to associate the acquired file or sample with experimental condition, and in the case of WebChembase condition with the WebChembase ID that is the identifier of the experiment inside the system. The batch can run multiple samples (rows) in parallel accelerating the analysis of the data.
- MCS within WCB: A new way to automatize the MassChemSite procedure is to run it directly in WebChembase starting from the same sample list that is used in the instrument for acquisition and a predefined Template of the protocol. In this process, the expected file that is selected from the acquisition sample list only needs to be copied in a pre-defined folder or the sample to appear in the UNIFI Analysis.