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S88-light

This namespace dictionary (https://s88.codes) is inspired by the original Siemens S88 definition. The vocabulary further develops many flavors of today's XML-based batch standards (see examples in the transformation folder). It is designed to focus on labs, experiments, semi-batch environments, and data science usability. As a reference for the original, we call it S88-light.

It contains unit operations, recorded events, and added amounts like the structured framework from the original S88 used in industrial automation and process control. We also follow the hierarchical XML structure but simplify it to make possible non-shop-floor, lab-scale implementations from different vendors. It is formed along five dimensions:

1. Operation
2. Order (Sequence)
3. Event (Time)
4. Device
5. Material

Master (Recipe) and Control (Time series) perspectives

The namespace includes both information, first encompassing all the relevant data and parameters required to execute a batch successfully and second the collection of post-experiment data like time series. A dictionary plays a crucial role in data-driven decisions.

Design principles

It is:

• Easy to read, de-normalized, i.e. linear
• Lab worker authoring perspective
• Data science on the results
• Many Jupyter notebooks as examples
• Definitions are vendor agnostic
• Small to medium scale
• Covers Chemistry, Formulation, Manual work steps, and Bioprocessing
• Declarative

It is not:

• No reactor management system or console
• No programming language
• Avoids collections (like <reaction>, <queue> or <hardware> in other namespaces)
• No compiler or GUI is needed
• Not IT program or system perspective
• Not for DoEs and PARs (that is a different namespace)
• Not designed to cover the full complexity of batch processing. It addresses the understanding of the processes and is designed with data science in mind.

You always need an IT System to generate or run the S88-light, for example, openReactor.

Taxonomy

Information instantiated with this namespace includes details about the recipe, setpoints, and various operational process parameters necessary for the batch process. Furthermore, after running and post-processing, it collects the recorded outcome for testing, optimizing, or researching process parameters and overall performance.

Workflow

From the plan of a process to the real process recording:

Why XML?

XML namespaces are a way of avoiding element name conflicts. JSON can be validated but is not designed for that. Also style tranformations (XSLT) and query like XPath is for XML designed.