Project deliverables
We are building a standard based, semantically enabled framework
handling HPLC data with two different CDS systems and HPLC instruments.
Key components are:
- Method Model for LC UV Data Acquisition
- Semantically enabled Methods Database
- Human Readable Method visualizing the machine instructions
- Import/ Export capability for Agilent and Empower CDS
This framework should allow us to prove the hypothesis that more flexibility and efficiency can be achieved by implementing a digitalized and harmonized instruction set sent to different CDS systems
Why is this important?
Reproducibility of methods is expected to be significantly improved while time and resources to re-establish a method in a different lab will be drastically reduced.
From a cyber security perspective, a centralized storage location will create a much more resilient environment.
What will the project achieve?
The project will achieve:
- test environments in participating companies
- Methods extraction from one CDS and execution in another HPLC
- Storage, search and retrieval of methods from the Method Database
The transformation of text-based method descriptions into digital instruction sets for different analytical methods and instrument types, including a common digital format and an ontology for analytical chemistry methods.
How will the project do this?
The HPLC experts have identified a common set of HPLC parameters across different CDS and HPLC’s.
Semantic experts have built the common parameters into a semantic Data Model. The Allotrope Data Format is used to bring semantic description, result data and files together in one universal HDF5 container.
