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which we can import from the Phenotype and Trait Ontology (PATO). It is the parent class of more specific physical
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characteristics, such as temperature, wavelength, mass or position, and it can be related to the device via the
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'quality of' relation from BFO. To be able to say that a 'setting datum' determines the value of such a device
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['quality of'](https://terminology.nfdi4chem.de/ts/ontologies/vibso/props?iri=http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2FRO_0000080) relation from BFO. To be able to say that a 'setting datum' determines the value of such a device
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characteristic, we can use the RO relation 'causally influences'.
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Since the actual quantitative value specified in a 'setting datum' can be encoded using different units of measurement,
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we also need a way to formally represent this. The way this is currently done in OBI is via the
class, which is defined as an information "that specifies a value within a classification scheme or on a quantitative
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scale". We can link this class to a 'setting datum' via the 'has value specification' relation which is a
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specialization of the very general 'has part' relation. For the part of this value encoding that represents a given
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measurement unit, such as any SI unit, we can use one of the instances of the class 'unit' defined in the Unit
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Ontology (UO), and link it via the 'has measurement unit label' relation from IAO. The last missing pieces are the
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links between a value specification and the actual literal value respectively the device characteristic. Both are defined in
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OBI as ['has specified value'](https://terminology.nfdi4chem.de/ts/ontologies/obi/props?iri=http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2FOBI_0002135),
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respectively ['specifies value of'](https://terminology.nfdi4chem.de/ts/ontologies/obi/props?iri=http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2FOBI_0001927).
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['value specification'](https://terminology.nfdi4chem.de/ts/ontologies/obi/terms?iri=http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2FOBI_0001933) class, which is defined as an information "that specifies a value within a classification
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scheme or on a quantitative scale". We can link this class to a 'setting datum' via the ['has value specification'](https://terminology.nfdi4chem.de/ts/ontologies/vibso/props?iri=http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2FOBI_0001938)
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relation which is a specialization of the very general 'has part' relation. For the part of this value encoding that
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represents a given measurement unit, such as any SI unit, we can use one of the instances of the class '[unit](https://terminology.nfdi4chem.de/ts/ontologies/uo/terms?iri=http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2FUO_0000000)'
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defined in the Unit Ontology (UO), and link it via the ['has measurement unit label'](https://terminology.nfdi4chem.de/ts/ontologies/vibso/props?iri=http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2FIAO_0000039) relation from IAO. The last
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missing pieces are the links between a value specification and the actual literal value respectively the device
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characteristic. Both are defined in OBI as ['has specified value'](https://terminology.nfdi4chem.de/ts/ontologies/obi/props?iri=http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2FOBI_0002135), respectively ['specifies value of'](https://terminology.nfdi4chem.de/ts/ontologies/obi/props?iri=http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2FOBI_0001927).
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Having described all the classes and relations we need to extend the OBI core assay pattern, we can now visualize
### Defining an Assay According to the Extended Assay Pattern in the Context of VIBSO
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As discussions with domain experts in the VIBSO development calls have made clear, the classification of
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the various types of Raman spectroscopy as currently done in CHMO has some problems (see https://github.com/NFDI4Chem/VibrationalSpectroscopyOntology/issues/103).
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the various types of Raman spectroscopy as currently done in CHMO has some problems (see [issue#103](https://github.com/NFDI4Chem/VibrationalSpectroscopyOntology/issues/103)).
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All of these types have in common that they somehow record the Raman scattering of the evaluated sample.
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However, their methodology differs in the ways in which the Raman scattering is produced, recorded or subsequently
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processed, by using either different devices, device settings, sample preparation steps or signal recording steps.
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We thus need the extended assay pattern described here, to be able to describe these different methods in more
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detail and thereby formally define the various types of Raman spectroscopy assays they specify.
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## The Assay Pattern in a Bigger Picture
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This assay pattern can of course combined with other planned process patterns, to be able to describe its embedding
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in a grander context. Without going into the details, the following TBox shows how this can be done with respect the
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competency questions:
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* Who performed the assay?
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*what kind of data transformations where performed on the data output of the assay?
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*what kind of sampling process was done before the assay?
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*What kind of data transformations where performed on the data output of the assay?
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*What kind of sampling process was done before the assay?
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* What is the investigation the assay is a part of?
In the previous VIBSO development calls, it became apparent that the proper use of the design patterns described
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here should be illustrated with concrete example instances. This should not only make it easier for the domain
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experts with little knowledge on ontology development to follow. We also hope to be able to spot logical inconsistencies
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when minting new classes and asserting their class restrictions by using reasoners, such as ELK or HERMIT during the
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development.
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We have thus added the ROBOT TSV template [scr/templates/vibso_examples.tsv](..%2Fsrc%2Ftemplates%2Fvibso_examples.tsv),
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We have thus added the ROBOT TSV template [vibso_examples.tsv](https://github.com/NFDI4Chem/VibrationalSpectroscopyOntology/blob/main/src/templates/vibso_examples.tsv),
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to be able to add example instances for each class minted in VIBSO. Similar to the other ROBOT templates we use,
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this one gets automatically converted into an OWL component ([vibso_examples.owl](..
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%2Fsrc%2Fontology%2Fcomponents%2Fvibso_examples.owl)) that is being imported into the main editor file ([vibso-edit.
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owl](..%2Fsrc%2Fontology%2Fvibso-edit.owl)).
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this one gets automatically converted into an OWL component ([vibso_examples.owl](https://github.com/NFDI4Chem/VibrationalSpectroscopyOntology/blob/main/src/ontology/components/vibso_examples.owl)) that is being imported into the
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main editor file ([vibso-edit.owl](https://github.com/NFDI4Chem/VibrationalSpectroscopyOntology/blob/main/src/ontology/vibso-edit.owl)).
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-----
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## External Sources Explaining and Reusing the Described Pattern
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### OBI Quality & Quantity Pattern
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## OBI Quality & Quantity Pattern
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Since we are reusing OBO ontologies and their patterns, we also try to reuse OBI's way of modeling
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Since we are reusing OBO ontologies and their patterns, we also try to reuse OBI's way of modeling
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[data and values](https://github.com/obi-ontology/obi/wiki/Data-and-Values). Please read their documentation for more
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background. Using this OBI pattern allows us to differentiate data values of qualities (aka attributes) of a material
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entity, such as the spectroscope or sample, into data values that represent settings and those that represent
@@ -224,11 +213,12 @@ Electronic Lab Notebooks, such a differentiation will most likely be very useful
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work in many OBO use cases, we need to see, if we have to adjust it for our needs. Other ontologies like QUDT or SIO
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use slightly different patterns to model qualities and their quantitative representations.
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### Measurement Example KG of the Assay Pattern
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-----
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## Measurement Example KG of the Assay Pattern
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Lars Vogt and Tobias Kuhn demonstrate the use of the OBO assay pattern within a grander research context as follows
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(cited from their preprint [DOI:10.13140/RG.2.2.13742.59203](http://doi.org/10.13140/RG.2.2.13742.59203), p.8):
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> Figure 3: A detailed machine-actionable representation of the metadata relating to a weight measurement datum
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> documented as an RDF ABox graph. The representation takes the form of an ABox semantic graph following the RDF
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> syntax. The graph documents a mass measurement process using a balance. It relates an instance of mass measurement
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