openauc-io¶
Open-source Python library for importing, validating, standardising, visualising and archiving analytical ultracentrifugation (AUC) data.
Pre-alpha, version 0.1.0a1, not published
APIs may change without notice. The package is not on PyPI — install from a clone or a locally built wheel (see Installation).
What it does¶
| Capability | Status |
|---|---|
| Canonical in-memory experiment model | Implemented |
| Generic long/wide CSV & TSV ingestion via manifests | Implemented |
| Tiered structural validation | Implemented |
| Analysis-readiness reporting | Implemented |
| Structured, JSON-friendly summaries | Implemented |
| Basic scan plotting | Implemented |
AUCX archival container (.aucx) |
Implemented |
| Deterministic synthetic data generation | Implemented |
| Command-line interface | Implemented |
What it does not do¶
openauc performs no scientific analysis, and this is permanent, not a
roadmap item:
- no sedimentation-velocity or equilibrium analysis, fitting or modelling;
- no convection, aggregation, meniscus or equilibrium detection;
- no data-quality scoring — scientific suitability is always reported as
NOT_ASSESSED; - no unit conversion — declared units are retained, never converted;
- no vendor or instrument formats (Beckman XL-A/XL-I, Optima, OpenAUC, SEDFIT/SEDPHAT are not read).
See Scientific boundaries for why.
Where to start¶
-
New here? Try it in five minutes with generated data — Five-minute quickstart
-
Have CSV/TSV data? — Load generic-long data and Create a manifest
-
Writing Python? — Complete Python workflow and the API reference
-
Prefer the shell? — Complete CLI workflow and the CLI reference
-
Extending it? — Architecture decisions and Contributing
The vocabulary this project keeps precise¶
Four ideas are deliberately kept apart throughout the code and these docs:
| Term | Question it answers |
|---|---|
| Representation | Can the data be held faithfully, without inference or transformation? |
| Structural validation | Are metadata, scans and observations internally consistent? |
| Analysis readiness | Is the metadata a future workflow would need actually present? |
| Scientific suitability | Is the experiment sound? — never assessed by this project |
Confusing them is the single most likely way to misuse this library. See Validation tiers.