Peptide reconstitution calculation reference vectors and unit-conversion validation dataset
Description
This open dataset contains twelve deterministic reference vectors for testing peptide reconstitution calculations. Each row covers mass units, target concentration units, expected reconstitution volume, and the molecular-mass input required for mM calculations. The values are synthetic fixtures derived from declared unit-conversion equations; they are not measurements from a vial, batch, patient, or instrument. The files are intentionally small so a reviewer can inspect every case and reproduce the expected result. The maintainer is Peptido Mexico Open Science, a research-use-only software project.
Files
Steps to reproduce
1. Read input.csv using schema.json. 2. Convert the mass and target concentration to compatible units. 3. For mass-concentration rows, calculate volume_mL = mass_mg / target_mg_per_mL. 4. For mM rows, use molar_mass_da to convert the requested molar concentration to mass concentration before calculating volume. 5. Compare the calculated volume with expected_volume_ml. 6. Run npm run benchmark:reconstitution in the source repository for the project validator and compare the reported input SHA-256 with PROVENANCE.json.