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Please cite VIBSO by its GitHub URL `https://github.com/NFDI4Chem/VibrationalSpectroscopyOntology` and credit [NFDI4Chem](https://www.nfdi4chem.de/) as well as VIBSO's [contributors](https://github.com/NFDI4Chem/VibrationalSpectroscopyOntology/graphs/contributors) as creators.
Copy file name to clipboardexpand all lines: docs/design_patterns.md
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@@ -41,7 +41,7 @@ that gets concretized by a 'plan'. A 'plan specification' is defined in the Info
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directive information that specifies through its parts which actions have to be performed (['action specification'](https://terminology.nfdi4chem.de/ts/ontologies/vibso/terms?iri=http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FIAO_0000007))
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in order to achieve the intended goals (['objective specification'](https://terminology.nfdi4chem.de/ts/ontologies/vibso/terms?iri=http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FIAO_0000005))
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of a 'planned process'. It thus resembles more fittingly what we usually mean in natural language when speaking of a
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plan or method. To have a direct relation from a plan specification to its planned process, we can reuse
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plan or method. To have a direct relation from a 'plan specification' to its 'planned proces', we can reuse
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'executes' from the Statistical Methods Ontology (STATO), as it is defined exactly for this purpose.
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The pattern can be visualized like this:
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need more information about the used method including the devices and device settings.
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## Extending the OBI Core Assay Pattern
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Since 'assay' is a specialization of 'planned process', we know that its method must be
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a kind of 'plan specification'. In OBI, we find the class 'investigation assay specification', which is defined as a
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'plan specification' about an assay that indicates the assay type, and which also called 'Project Method'. Some provided
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examples for this class are: sequence or mass spectrometry. Hence, we can say that the 'assay objective' is an
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essential part of this class. Similarly, we can say that the information which determines the essential experimental
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setup of a specific assay, such as the needed devices and device settings, must also be an essential part of the
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'investigation assay specification'.
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Since 'assay' is a specialization of 'planned process', we know that its method (plan) must be defined in some kind of
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'plan specification'. In OBI, we find the class ['investigation assay specification'](https://terminology.nfdi4chem.de/ts/ontologies/vibso/terms?iri=http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FOBI_0001896), which is defined as a
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'plan specification' that indicates the assay type, and which is also called 'Project Method'.
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Some provided examples for this class are: sequence or mass spectrometry. Hence, we should be using this subclass of
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'plan specification' in our assay pattern, and we can assert that an essential part of it is an 'assay objective'.
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Similarly, we can say that the information which determines the experimental setup of a specific assay, such
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as the needed devices, their settings or the way in which the evaluated sample must be prepared, is also an essential
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part of the 'investigation assay specification'.
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### Assay Devices
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To represent the instruments used in an assay, we can import the already existing 'device' class from OBI and link
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it to 'assay' via the 'has specified input' relation. The definition of this relation makes clear that the range of it,
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in our case a 'device', must be specified in a 'plan specification', in our case an 'investigation assay specification'.
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### Device Settings
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Representing the device settings of an assay is a bit more complex. From IAO, we can use the class ['setting datum'](https://terminology.nfdi4chem.de/ts/ontologies/vibso/terms?iri=http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FIAO_0000140),
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to represent the part of an 'investigation assay specification' that is about the device setting, since it is defined
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as a 'data item' "that denotes some configuration of an instrument". We can thus also link it directly to an
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'assay' via the 'is specified input' relation. What we need to represent next in this extended pattern is the
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relation between the 'setting datum' and the characteristic of the assay device that it determines. As a
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'device' is a material entity, its configurable characteristics can be represented with the class ['physical object
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'](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
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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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it to 'assay' via the ['has specified input'](https://terminology.nfdi4chem.de/ts/ontologies/vibso/props?iri=http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FOBI_0000293) relation. The definition of this relation makes clear that the range
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of it, in our case a 'device', must be specified in a 'plan specification', in our case an 'investigation assay
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specification'.
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### Assay Device Settings
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To represent the part of an 'investigation assay specification' that is the information which specifies what kind of
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configurable qualities an assay device must have, we can use the class ['setting datum'](https://terminology.nfdi4chem.de/ts/ontologies/vibso/terms?iri=http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FIAO_0000140), since it is defined as a
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'data item' about "some configuration of an instrument". To represent the configurable device quality
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specified by a setting datum, we can use the class ['physical object quality'](https://terminology.nfdi4chem.de/ts/ontologies/vibso/terms?iri=http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2FPATO_0001241) from the Phenotype and Trait
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Ontology (PATO), as it is the parent class of more specific physical qualities, such as temperature, wavelength, mass or
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position. This quality can be related to the device via the ['quality of'](https://terminology.nfdi4chem.de/ts/ontologies/vibso/props?iri=http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2FRO_0000080) relation from BFO.
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Since the actual quantitative value of the 'physical object quality' specified by a 'setting datum' can be encoded
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using different units of measurement, we also need a way to formally represent this. The way this is currently done
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in OBI is via the ['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
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a classification scheme or on a quantitative scale". We can link this class to a 'setting datum' via the
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['has value specification'](https://terminology.nfdi4chem.de/ts/ontologies/vibso/props?iri=http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2FOBI_0001938) relation which is a specialization of the very general 'has part' relation. For the
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part of this value encoding that represents a given measurement unit, such as any SI unit, we can use one of the
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instances of the class '[unit](https://terminology.nfdi4chem.de/ts/ontologies/uo/terms?iri=http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2FUO_0000000)' defined in the Unit Ontology (UO), and link it via the
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['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 missing pieces are the links between a value
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specification and the actual literal value respectively the configurable device quality. 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), 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
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