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AI agent for chemists

Out-of-Specification Investigation Agent

Complete a documented, ordered laboratory investigation of an OOS result and decide whether a retest is allowed.

Out-of-Specification Investigation Agent: what goes in, what the agent does and what you get

What it does

When a result falls out of specification, labs must investigate before retesting, and the order of checks matters. This agent starts when an OOS result is logged. It follows the lab's error checklist in order: calculations, sample preparation, instrument performance, standards and reagents, analyst technique and documentation. For each step it pulls the records, such as raw data, balance logs, system suitability and standard certificates, and records what it found. It stops at the first assignable cause and drafts the finding. A retest is requested only when the procedure allows it and the checks are complete. It never concludes on its own. The lead approves conclusions and any retest. Edge case: if records are missing for a step, the agent records that gap, not a pass.

How it works

Follow the arrows from top to bottom. The orange dashed arrow is the loop: when a check fails, the agent goes back and tries again.

Start and resultWhat it doesA check on its own workWaits for your OKGoes back and retries
Yes, continueYes, continueApprovedNoNo 1 STARTS WHEN OOS result logged 2 USES A TOOL Collect raw data, calculations and prep records 3 DOES Recalculate the result from raw data 4 CHECKS THE RESULT Does the recalculation match the reported result? If not: record a calculation error and prepare thecorrection for the lead. Back to step 3. 5 USES A TOOL Check instrument logs, system suitability andbalance records 6 USES A TOOL Check standards, reagents and sample prep againstexpiry and procedure 7 CHECKS THE RESULT Is each record present and acceptable? If not: request the missing record and recheck, notingany gap as unresolved. Back to step 6. 8 DOES Write the investigation record with each check andfinding 9 YOU APPROVE Lead approves the conclusion and any retest 10 RESULT Completed phase 1 investigation
Read the steps as a list
  1. OOS result logged
  2. Collect raw data, calculations and prep records
  3. Recalculate the result from raw data
  4. Does the recalculation match the reported result?If not: record a calculation error and prepare the correction for the lead. Back to step 3.
  5. Check instrument logs, system suitability and balance records
  6. Check standards, reagents and sample prep against expiry and procedure
  7. Is each record present and acceptable?If not: request the missing record and recheck, noting any gap as unresolved. Back to step 6.
  8. Write the investigation record with each check and finding
  9. Lead approves the conclusion and any retestThe agent waits here for your OK.
  10. Completed phase 1 investigation

How it decides

It follows the procedure order and treats a check as passed only with a record. It recommends a retest only if a cause is found or the procedure permits one after all checks pass.

  • Follow the checklist in its set order without skipping
  • Record a missing document as a gap, never as a pass
  • Allow a retest only when the procedure permits it
  • Stop at the first assignable cause and flag it for the lead

Make it yours

Every agent is a starting point. You choose these settings for your own situation.

  • Checklist steps and order
  • Specification limits per test
  • Records required at each step
  • Retest rules
  • Investigation template

What keeps you in control

It always asks you first

  • Investigation conclusions
  • Any retest
  • Any data correction

Hard limits

  • Never order a retest outside the procedure
  • Never change or delete original data

It stops when

  • Done: checklist complete and lead decision recorded
  • Stop: records are missing and cannot be obtained

Set it up

We guide you through the set-up, step by step

Members get the full set-up guide for this agent. No technical skills needed: you copy, paste and upload.

10 minto set it up in your AI
5 AIsChatGPT, Claude, Copilot, Gemini, Grok
  • One set of instructions to paste into your AI, with the clicks for ChatGPT, Claude, Microsoft 365 Copilot, Gemini and Grok
  • The agent then walks you through connecting your own data, one source at a time
  • A downloadable copy with the flow chart, the rules and the full guide
Get access to this agent

An example run

What happensAn assay for Lot 22B read 91.4% against a 95.0 to 105.0 limit. The agent recalculated and matched the result, then found the balance check was in date but the standard solution had been prepared 3 days past its limit. It recorded that as a possible cause and asked for the preparation record. The lead approved a retest with a fresh standard.

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