Supporting Data and Code for Tannic-Acid-Mediated Pyridine Assembly

Harvard Dataverse hosts data and code supporting the manuscript 'From miscibility to mesoscale heterogeneity: tannic-acid-mediated assembly of pyridine in aqueous liquids'. The collection includes Density Functional Theory calculation files, X-ray Absorption Spectroscopy processing scripts, tomography reconstruction scripts, and source files for generating manuscript figures. The dataset was authored by Erica Pensini and last updated on June 29, 2026.

Use Cases

• Reproducing computational chemistry results based on the provided DFT calculation files.
• Processing X-ray absorption spectroscopy data based on the included XAS scripts.
• Reconstructing tomography data based on the provided reconstruction scripts.
• Reproducing manuscript figures based on the supporting source files.

Strengths

• Includes files for multiple analysis methods: DFT calculations, XAS processing, and tomography reconstruction.
• Directly supports a specific, named scientific manuscript.

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 formats are unknown, which may limit suitability assessment.

Provenance

Source

Harvard Dataverse

Collection Method

Created to support a specific scientific manuscript.

Freshness

Last updated 2026-06-29 21:02:37; freshness should be verified.