AX-R01 — Mass accuracy outside class limit
Observed monoisotopic mass differs from theoretical by more than the class limit.
severity high242 flagged
Anomaly rules
12 rules, each with its literal predicate published, each with a page saying what it is not, and each linked to every record it flagged. 5,108 of 6,722 records carry at least one flag — 76.0 % of the index.
| Rule | What it detects | Severity | Predicate | Flagged | Rate |
|---|---|---|---|---|---|
| AX-R01 | Mass accuracy outside class limit | HIGH | abs(ppmError) > compound.class.specPpm | 242 | 3.60% |
| AX-R02 | Declared impurity arithmetic does not close | MEDIUM | coa.purity != null && coa.totalImpurities != null && abs(coa.purity + coa.totalImpurities - 100) > 0.15 | 128 | 1.90% |
| AX-R03 | Declared largest single impurity exceeds declared total | HIGH | coa.largestSingle != null && coa.totalImpurities != null && coa.largestSingle > coa.totalImpurities + 0.02 | 57 | 0.85% |
| AX-R04 | Digit preference in declared purity | LOW | coa.purity != null && (coa.purity * 10) % 5 === 0 && supplierRoundCount >= 3 | 1,492 | 22.20% |
| AX-R05 | COA purity diverges from independent median | HIGH | batch.independentN >= 2 && coa.purity - median(batch.independentPurity) > 1.5 | 0 | 0.00% |
| AX-R06 | Recovered mass outside label claim tolerance | MEDIUM | recoveredMg / labelClaimMg < 0.90 || recoveredMg / labelClaimMg > 1.10 | 301 | 4.48% |
| AX-R07 | Declared gravimetric mass balance does not close | MEDIUM | coa.water != null && coa.counterIon != null && coa.peptideContent != null && abs(coa.water + coa.counterIon + coa.peptideContent + coa.residual - 100) > 1.0 | 173 | 2.57% |
| AX-R08 | Endotoxin above index specification | HIGH | endotoxinEuPerMg > compound.class.specEndotoxin | 53 | 0.79% |
| AX-R09 | Impurity fingerprint shared across suppliers | LOW | fingerprintMatch(batchA, batchB) && batchA.supplier !== batchB.supplier | 247 | 3.67% |
| AX-R10 | Supplier-supplied sample reads high against buyer-sourced | MEDIUM | batch.hasBoth && median(batch.supplierSupplied) - median(batch.buyerSourced) > 0.8 | 525 | 7.81% |
| AX-R11 | Retention time outside compound window | MEDIUM | abs(observedRt - normalisedRt(compound.rt, lab.gradient)) > compound.rtWin | 227 | 3.38% |
| AX-R12 | Unresolved shoulder or excessive peak asymmetry | MEDIUM | asymmetry > 1.50 || nearestImpurityResolution < 1.20 | 4,137 | 61.54% |
AX-R02 — Declared impurity arithmetic does not close
The supplier's own certificate reports a purity and a total-impurity figure that do not sum to 100 %.
severity medium128 flagged
AX-R03 — Declared largest single impurity exceeds declared total
A certificate reports a single impurity larger than the sum of all impurities.
severity high57 flagged
AX-R04 — Digit preference in declared purity
A supplier repeatedly reports purity as a round number — 99.0, 98.5, 99.5 — where a real integration would not.
severity low1,492 flagged
AX-R05 — COA purity diverges from independent median
The supplier's certificate claims a purity more than 1.5 pp above the median of independent tests on the same lot.
severity high0 flagged
AX-R06 — Recovered mass outside label claim tolerance
The mass of target peptide actually recovered from the vial is more than 10 % away from the declared claim.
severity medium301 flagged
AX-R07 — Declared gravimetric mass balance does not close
Declared water, counter-ion, peptide content and residual do not account for 100 % of the mass.
severity medium173 flagged
AX-R08 — Endotoxin above index specification
Measured bacterial endotoxin exceeds the index specification of 5.0 EU/mg.
severity high53 flagged
AX-R09 — Impurity fingerprint shared across suppliers
Two batches sold by different suppliers have impurity profiles matching closely enough to indicate one bulk.
severity low247 flagged
AX-R10 — Supplier-supplied sample reads high against buyer-sourced
For one lot, the sample the supplier provided tests materially better than material bought independently.
severity medium525 flagged
AX-R11 — Retention time outside compound window
The main peak eluted outside the expected window after normalising for the laboratory's gradient.
severity medium227 flagged
AX-R12 — Unresolved shoulder or excessive peak asymmetry
The main peak is too asymmetric, or too close to its nearest impurity, for the reported purity to be reliable.
severity medium4,137 flagged