This section aims to present the Data Architecture implemented for data flow in Lab Booster.
ELN Spreadsheets design standards
Design is really important for user experience.
The user feedback about the first version of the ELN templates where more about the design than the content. They didn't really enjoy the "black and yellow" spreadsheets.
So for Coatings' Paint Formulation SS V2, we worked on defining design standards using Solvay's color palette as a base.
These standards are going to evolve according to the future needs.
Here are documentations about developed spreadsheet in PROD:
| Agro | ||
| Battery | Conductivity | |
| Battery | Mechanosynthesis | |
| Coatings | EP | |
| Seed Care | Formulation | |
| Seed Care | Results & Requests |
Lab Booster Data model
A Data Model represents the way data is structured in a dataset or a database, such as Lab Booster’s data ocean.
The data model defines how the data lake or data ocean is connected to:
- The data input i.e. ELN, LIMS systems, connected instruments etc.
- The data output i.e. the WebApp DataLab in which users can access data
Context
As of mid-2023, each market in Lab Booster has its own data model i.e. its own way to structure data.
At each new project, connections to the data lake must be built again
Objective
Our aim is to have a common data model for all markets, to bring:
- Accelerated delivery of new projects
- Better performance
- Less maintenance
This page is divided two sections
- Entity-Relationship Diagram (ERD), which served as a basis to design the data model
- Data model
Entity-Relationship Diagram (ERD)
Data Models are generally based on a diagram or schema called Entity-Relationship Diagram defining
- Entities i.e. a definable object or concept within a system
- Relationships i.e. how entities are related to one another
Building the ERD is a preliminary step to designing the actual data model to ensure that all required entities and relationships are accurately defined and represented.
This section is split in two parts
- Entity-Relationship Diagram design
- ERD mapping with R&I workflows
Entity-Relationship Diagram design
Entity dictionary
| Entity | Definition | Example(s) |
|---|---|---|
| Experiment | A recording of a workflow performed in the lab by an operator at a given date to achieve an objective An Experiment includes
| Experiments created and recorded in ELN IDBS, LIMS Labware LIMS Agilab... |
| Solvay User | A recording of the user that created the Experiment, including Solvay ID and email | |
| User Permissions | A setting determining what application options the user has access to | |
| Request | A recording of information provided by user requesting an Experiment A Request includes
| Requests for BioMatTech - Biodegradability testing include
|
| Planning | A recording of when the Experiment is supposed to be performed A Planning includes
| Planning in Novecare - Méréville Request & Results includes
|
| Activity | A group of Processes performed in the lab in a specific order | In Novecare - Méréville Request & Results, two Activities are found, Application and Testing |
| Process | A group of Process Steps performed in the lab in a specific order | In BatMat -Mecanosynthesis, the Mecanosynthesis Process is defined by several successive Process Steps
|
| Process Step | A recording of tasks performed in the lab, defined by its name and date A Process Step includes
A Process Step follows a Standard Operating Procedure (SOP) | In Aroma - Fermentation the Growth Process Step is defined by the date on which it is performed and includes
|
| Process End Product | The chemical output of a Process, defined by its name and date Process End Product characteristics include composition, aspect, mass and/or volume... A Process End Product can be registered as a new Ingredient for other Formulation (Batch) or Process Steps | In Aroma - Fermentation, the Process End Product of the Process Step "Bioconversion" is vanillin In Novecare - Méréville Formulation Recipe, the Process End Product of the Formulation Process Step is a formulation In BatMat - Mecanosynthesis Jar Slurries, Amorphous Precursors and Raw Calcined Products are Process End Products |
| Ingredient | A chemical product, defined by its name and unique ID and recorded in an inventory Ingredient characteristics include date, batch number, supplier, physical state (liquid/solid), density, color... An Ingredient can be:
| In Aroma - Fermentation, the substrate Ferulic acid is an Ingredient In Novecare - Méréville Request & Results, Slurries and Powders are Ingredients In BatMat - Mecanosynthesis Jar Precursors, Slurries, Amorphous Precursors and Raw Calcined Products are Ingredients |
| Formulation | A combination of chemical products defined by the Ingredients, the Ingredients target proportions and its name Formulation characteristics include total number of chemical products, target concentration, target volume, calculated density... | In Novecare - Méréville Request & Results, a Recipe is a Formulation and is defined by name, ID and label. Characteristics include Number of products, Products, Recipe unit, Recipe Price, Calculated Recipe Density... |
| Formulation Batch | A combination of chemical products defined by the Ingredients, the Ingredients actual proportions, its name, unique ID and date Formulation Batch characteristics include total number of chemical products, actual concentration, total volume, density, container (vessel, jar, bottle)... A Formulation Batch is a Formulation that has been created in the lab | In Novecare - Méréville Request & Results, a Batch of Recipe is a Formulation Batch and is defined by name, ID and label Characteristics include Recipe selection, Actual Weight (of Products) |
| Sample | A part of a substance or component that is taken from the whole substance or component, defined by its name, unique ID and date A Sample can come from
A Sample can be used for
See Step Sample for Samples taken during a Process Step | Samples come from
Samples are used for
|
| Step Sample | A part of a substance or component that is taken from the whole substance or component in relation to a Process Step, defined by its name and date A Step Sample can be
| In Aroma - Fermentation, Step Samples are taken throughout the three Process Steps to monitor the chemical reactions |
| Sample Test Plan | A Planning defined for a set of Samples, defined by its name and the timing The Sample Test Plan characteristics include total number of Samples, Tests to perform ... A Sample Test Plan can apply in the context of
| In Novecare - Méréville Formulation the Sample Test Plan defines when Samples should be taken during an ageing Process Step It is defined by
|
| Test Group | A group of Tests performed on the same Sample | Characterization tests (OD manual, OD dencytee and Glucose) performed during the Growth Process Step in Aroma - Fermentation for a Test Group |
| Test | A measure of Sample behavior when a procedure is carried out | Tests performed in BatMat - Mecanosynthesis include Particle size test, SEM test, Lumisizer test, H NMR test, P31 NMR test, Li7 NMR test, Discrete value test |
| Measure | A property that can be measured A Measure can serve both a Condition and/or a Result | pH is a Condition in Aroma - Fermentation and a Result in BioMatTech - Biodegradability |
| Conditions | A variable or setting defined by the operator for
| In BioMatTech - Biodegradability, Conditions for the Dry matter Test include Empty aluminium cup weight In Aroma - Fermentation, Conditions of the Growth Process Step include Scale, Temperature, pH... |
| Results | The outcome of a Test performed on a Sample in specified Conditions Results can take the form of
| A pH value is a Result of a biodegradability Test in BioMatTech - Biodegradability A conductivity curve is a Result of a conductivity Test in BatMat - Conductivity Observations are a Result of a Look after Attrition Test in Novecare - Méréville Request & Results |
| Results Series | A set of Results, obtained at different time intervals, for a Test performed in the same Conditions on the same Sample | |
| Aggregated Result | A Result obtained by aggregating Results from several Tests | In Aroma - Fermentation, the maximum amount of vanilin produced during the Bioconversion Process Step is an Aggregated Result as it aggregates several vanilin concentration measure Results In Novecare - Méréville Request & Results, averages calculated from two different Test Results are Aggregated Results |
Entity-Relationship Diagram
ERD mapping with R&I workflows (WIP)
Three types of R&I workflows were identified
- Formulation workflows
- Synthesis workflows
- Analysis workflows
This was done in order to ensure that the ERD defined accomodates all types of R&I workflows.
The mapping done for different workflows is summarized in the table below.
| GBU/F- R&I | Workflow name | Workflow type | Mapping status | Link to mapping | Documentation - Data capture |
|---|---|---|---|---|---|
| Novecare GBU | Seed Care Formulation | Formulation | Done | Seed Care mapping | ELN template |
| Novecare GBU | Seed Care Request & Results | Formulation | Done | Seed Care mapping | ELN template |
| Battery Platform | Mecanosynthesis | Synthesis | Done | Mecanosynthesis mapping | ELN template |
| Aroma Performance GBU | Fermentation | Synthesis | Done | Fermentation mapping | ELN spreadsheet mockup |
| BioMatTech Platform | Biodegradability | Analysis | Done | Biodegradability mapping | LIMS spreadsheet mockup |
| Specialty Polymers GBU | Aging, Mechanical, Thermal | Analysis | Ongoing | ||
| Specialty Polymers GBU | Synthesis | To do | |||
| Novecare GBU | Agro | Formulation | To do | ||
| Novecare GBU | EP Coatings | Synthesis | To do | ||
| Novecare GBU | Paint Coatings | Formulation | To do | ||
| Corporate R&I | Solvent platform - Solubilization | To do | |||
| Corporate R&I | Analysis | To do | |||
| Green Hydrogen Platform | Conductivity | Analysis | To do |
BigQuery
New Data Model of ALB Data Mart (Exposition layer): https://app.genmymodel.com/api/projects/_k07o4IBOEe29ie0vpi-P5A/diagrams/_k07o4oBOEe29ie0vpi-P5A/svg
The following BigQuery datasets are all staging as per the data convention explained previously.
For more ETL (extraction, transformation, loading) details, please refers to: App Lab Booster (ALB) - Data
Batteries
Materials
Coatings
