repro-lab-kit

repro-lab-kit is a small, offline workflow that connects three released packages into one auditable synthetic run:

1. peptide-qc calculates sequence composition and neutral monoisotopic mass.
2. peptide-calculations calculates a target reconstitution volume.
3. lcms-peptide-qc compares a synthetic observed m/z with the theoretical positive-mode value.

The command emits a deterministic JSON summary and a SHA-256 hash of the input. It is designed for examples, teaching and software regression checks—not for sample identification, purity certification, clinical interpretation or chain of custody.

Install and run

npm install repro-lab-kit
npx repro-lab-kit --check
npx repro-lab-kit --input ./my-synthetic-input.json

The input shape is shown in examples/input.json. Only synthetic or appropriately licensed data should be used. The workflow is offline after installation and does not fetch papers, send sample data or call an instrument.

Browser companion

For a no-install concentration and reconstitution interface, see the Péptido México calculator. The browser tool and this package expose different interfaces to the same kind of transparent, unit-aware calculation; neither is a dosing or administration recommendation.

Development

npm test
npm run pack:check

The package is maintained by Péptido México, a commercial supplier of research materials. That relationship is disclosed so users can distinguish software maintenance from scientific interpretation.