Data from the Texas Data Repository used to demonstrate and benchmark the pHarmony NMR crosspeak matching algorithm. The dataset includes input and output files for the algorithm. Author Josh Wand contributed the data, which was last updated on 2026-04-27.
Use Cases
- Benchmarking NMR peak matching algorithms based on the provided input and output files.
- Developing new spectral alignment methods based on the demonstration data.
- Validating computational chemistry workflows for NMR data analysis based on the benchmark files.
Strengths
- Includes both input and output files for a specific algorithm, providing a complete test case.
- Data is associated with a named author and a specific repository (Texas Data Repository).
- Has a specific last update timestamp of 2026-04-27.
Limitations
- Description metadata is limited; actual data quality requires manual inspection after download.
- Column-level documentation is absent; field semantics must be inferred after download.
- Row count and file size are unknown, which may limit suitability assessment.
Provenance
- Source
- Texas Data Repository Harvested Dataverse
- Collection Method
- Data used for algorithm demonstration and benchmarking.
- Time Range
- null
- Freshness
- Last updated 2026-04-27 04:13:26; freshness should be verified.
- Geography
- null