Nuclear Magnetic Resonance (NMR) data for 13C/12C analysis of ibuprofen samples and reference materials. The dataset was authored by David Hoffman and last updated on October 15, 2025. It includes an R script for processing the raw data to obtain isotope ratios.
Use Cases
- Calculate 13C/12C isotope ratios for ibuprofen samples based on the described NMR data.
- Develop or validate data processing pipelines for NMR spectroscopy using the provided R script.
- Benchmark reference materials against unknown samples for quality control in pharmaceutical analysis.
- Train models for automated spectral analysis and isotope ratio prediction from NMR outputs.
Strengths
- Includes an R script for reproducible data processing to obtain isotope ratios.
- Contains data for both ibuprofen samples and reference materials, enabling comparative analysis.
- Last updated on October 15, 2025, indicating recent maintenance.
Limitations
- Column-level documentation is absent; field semantics must be inferred after download.
- Row count and file size are unknown, which may limit suitability assessment.
- Data may reflect methodological or source bias inherent to the specific collection.
Provenance
- Source
- Texas Data Repository Harvested Dataverse
- Collection Method
- Likely laboratory measurement via Nuclear Magnetic Resonance (NMR) spectroscopy.
- Time Range
- null
- Freshness
- Last updated 2025-10-15 06:29:00
- Geography
- null