Domain Definition

VIBSO's scope is to provide the semantic terms needed to describe experiments and data within the domain of vibrational spectroscopy. With VIBSO it should be possible to make statements about the planning and realization of a vibrational spectroscopy assay, which is defined as a spectroscopic method that probes the vibrational modes of molecules or crystals. More specifically, VIBSO is intended to be used for making statements about who did what kind of vibrational spectroscopy, with what kind of sample, device and device configuration, under what lab protocol, in the context of what investigation as well as producing what kind of outputs. A more detailed description of VIBSO's competency questions can be found here.

Ontological Dependencies

Following the OBO Foundry Principles, VIBSO's domain coverage depends heavily on reusing many terms from existing ontologies instead of defining them anew. First and foremost it depends on the Basic Formal Ontology (BFO) as a common ground for abstract upper level classes such as material entity or process and on the Relation Ontology (RO) for commonly used relations. The Ontology of Biomedical Investigations (OBI) is another important and more concrete dependency of VIBSO, as it already provides many general classes and some specific relations within the domain of scientific investigations, such as assay, device or protocol. For more on this modular approach see the section on Design Patterns & Decisions. An exact list of the ontologies from which domain relevant terms are imported can be found here. And more about the way this is done is documented here.

Most importantly, VIBSO depends on classes from the Chemical Methods Ontology (CHMO), which already defines branches for the main chemical methods of interest - vibrational spectroscopy and Raman spectroscopy - as well as other general classes needed to cover VIBSO's scope, such as spectrum or spectrometer. However, we have identified gaps within CHMO with regard to the domain of RDM. Also, the above-mentioned spectroscopic branches need to be vetted by domain experts taking into consideration previous work done by the IUPAC (see DOI:10.1515/pac-2019-0203) and in the now orphaned ontologies REX & FIX, in which we can also find classes like vibrational spectroscopy or vibrational relaxation.

Following best practices, we are collaborating with the developers and maintainers of CHMO and due to the domain specific overlap between it and VIBSO, it might be possible in the future that VIBSO will be somehow integrated into CHMO. At the moment however, it seems best to keep the two separated to address the identified gaps and issues regarding VIBSO's scope.