Vibrational Spectroscopy Ontology (VIBSO)

The Vibrational Spectroscopy Ontology (VIBSO) is a domain-specific vocabulary for comprehensive and standardized semantic description of vibrational spectroscopy experiments and their resulting research data. It provides formal definitions of technical terms and concepts used in vibrational spectroscopy including spectroscopy types (infrared, Raman, NIR), sample preparation methods, measurement parameters, instrumentation, and data analysis procedures. VIBSO enables researchers to annotate spectroscopy datasets with machine-readable semantic metadata, making data FAIR (Findable, Accessible, Interoperable, Reusable) and supporting automated data discovery and integration. The ontology captures the complete experimental context including measurement conditions, instrument specifications, data processing steps, and quality metrics critical for reproducibility and data reuse. VIBSO facilitates semantic interoperability in spectroscopy databases, analytical chemistry platforms, and materials science research by providing unambiguous definitions of spectroscopic concepts.

Example Usage: Annotate a Raman spectroscopy experiment with VIBSO terms including spectroscopy type (Raman), sample material, laser wavelength, temperature conditions, and data processing methods to enable automated discovery of similar spectroscopic studies.

Metrics & Statistics

Graph Statistics

Total Nodes

4007

Total Edges

8009

Root Nodes

328

Leaf Nodes

2547
Knowledge Coverage Statistics

Classes

598

Individuals

40

Properties

53
Hierarchical Metrics

Maximum Depth

13

Minimum Depth

0

Average Depth

2.03

Depth Variance

2.77
Breadth Metrics

Maximum Breadth

1131

Minimum Breadth

1

Average Breadth

188.29

Breadth Variance

98075.49
LLMs4OL Dataset Statistics

Term Types

40

Taxonomic Relations

599

Non-taxonomic Relations

23

Average Terms per Type

2.35

Usage Example

Use the following code to import this ontology programmatically:

from ontolearner.ontology import VIBSO

ontology = VIBSO()
ontology.load("path/to/VIBSO-ontology.owl")

# Extract datasets
data = ontology.extract()

# Access specific relations
term_types = data.term_typings
taxonomic_relations = data.type_taxonomies
non_taxonomic_relations = data.type_non_taxonomic_relations