Péptido México Open Science

Synthetic peptide reconstitution benchmark

A small, inspectable set of deterministic cases for checking mass, concentration, unit conversion and target volume calculations. Every row can be read without an instrument, a sample or a hidden dependency.

What this fixture checks

Mass concentration

Rows cover mg and µg inputs with targets expressed as mg/mL, µg/mL or µg/µL.

Molar concentration

Three rows require an explicit molecular mass before a target in mM can be converted to mg/mL.

Regression checks

The expected volume is fixed for each row, so a validator can catch unit mistakes without guessing.

volume (mL) = mass (mg) ÷ concentration (mg/mL)

Scope: These are synthetic calculation cases. They do not describe a vial, batch, purity result, identity test, clinical dose or administration protocol.

Try a calculation

Use the same arithmetic contract as the benchmark. For an mM target, enter the molecular mass in daltons.

Mass (mg) Target concentration Target unit Molecular mass (Da, for mM)

2.000 mL 10 mg ÷ 5 mg/mL

Reference cases

Case	Mass	Target	Molecular mass	Expected volume

Reproduce it locally

The repository contains the CSV, schema, dataset card and validator. From a clean checkout:

npm ci
npm run benchmark:reconstitution

The validator checks every expected volume and prints the SHA-256 of the input file. The benchmark is deliberately small so a reviewer can inspect each row.

For the source files and license, see the benchmark directory on GitHub.

The same arithmetic runs behind the reconstitution calculator, and the underlying procedure is written out in the guide on reconstituting a peptide. The glossary entry on lyophilisation covers why the solid is measured by nominal mass rather than by volume.