(ATS6-APP06) Accelrys LIMS and Accelrys ELN integration

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Integrating a diverse suite of applications can be a challenge. We'll discuss the RESTful API that was developed to integrate Accelrys ELN with Accelrys LIMS and IM. Then we'll see how the API will …

Integrating a diverse suite of applications can be a challenge. We'll discuss the RESTful API that was developed to integrate Accelrys ELN with Accelrys LIMS and IM. Then we'll see how the API will evolve to be a general purpose API for querying and updating instance data.

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  • 1. (ATS6-APP06) Accelrys LIMS andAccelrys ELN IntegrationBert RosellGroup Leader, Software DevelopmentLIMS R&Dbert.rosell@accelrys.comTodd ClementSenior Product ManagerAccelrys ELN Product Managementtodd.clement@accelrys.com
  • 2. The information on the roadmap and future software development efforts areintended to outline general product direction and should not be relied on in makinga purchasing decision.
  • 3. Content• Integrating ELN with LIMS• Architecture made it possible• Low level demonstration of RESTful API
  • 4. Benefits:• Lower TCO for customers(single system serving across multiple customer groups)• Extend functionality beyond Inventory; e.g., Sample Management, Equipment• Share Materials and Preparations across laboratoriesStatus:• 8 use cases defined – 6 implemented• Modeled after SmartLab / CIMSintegration• Focus on solutions with supportfor expiry dates• Reviewed use cases with fieldpersonnel and customersNotebook & Inventory Manager (IM) Integration
  • 5. IM as Data SourceImportExperimentMaterials fromInventory Mngr“Auto Lookup”Data from IMUpdate IMDatabase withquantity usedRegister newPreparationsIntegrating your Systems reduces errorsData from IMBarcodeEntryCreate newSolutions
  • 6. Material Import from Inventory ManagerSearch using the standardAELN Materials ImportExpired containers areflagged and obviousSearch for one or morematerials at onceContainer informationfrom IM per Customerconfiguration
  • 7. Auto Lookup via BarcodeEntering Barcode performs automatic Lookup for materialsdetails in IMMonitors foralready enteredmaterial
  • 8. Select Materialsand select‘Reconcile’Create newSolutionsReconcile Amounts in Inventory ManagerIndividual Materialamounts are totaled fromthe Preparations; AmountRemaining is calculatedSelect Reconcile to updatecontainer quantities inInventory
  • 9. Register Preparations into Inventory ManagerSelect one or morePreparations and select‘Register Materials’Select a matchingInventory Template toregister the PreparationEnter appropriateinventory information andregisterBarcode is generated andreturned to the experiment
  • 10. Integration Approach
  • 11. • RESTful Web Service API– Searching• Consumables• Templates– Updating• Consumables• Embedded IM UI– Register PreparationIntegration Approach
  • 12. IM API is RESTful• REpresentational State Transfer• Architectural Style for Distributed Systems• Client/Server• Stateless• Resources are represented by URI’s• Uses HTTP for data transfer
  • 13. • Searches– Consumables (Materials)• For Material Import• Search by name, CAS andBarcode or id– Templates by SolutionComponents• For Register Preparation• Includes fuzzy logic to Ranktemplates• Updates– Consumable QuantityIM API Features
  • 14. LIMS ArchitectureIISLIMS Core ServicesEMIM IM API
  • 15. Low Level Demos
  • 16. Material Import
  • 17. Material Import Details• GET• URI format– http://server/cimsapi/{siteId}/Consumables• Query String– ?barcode=‘code1’,’code2’– ?id=‘1234’,’2345’– ?casnumber=’58-08-2’– ?name=‘Caffeine’
  • 18. DemoConsumable Search via API• Used for Material Import– Simple REST Client Chrome Extension
  • 19. Reconcile Amounts
  • 20. Reconcile Amounts• PUT• URI format– http://server/cimsapi/Consumable/{consumableId}• Query String– none• Data– Quantity as XML
  • 21. DemoReconcile Amount via API
  • 22. User Authentication• User Identity– SAML - Security Assertion Markup Language• IM Eligibilities– Can View, Can Process• Audit Trails– Who, What, When
  • 23. Register Preparation
  • 24. Register Preparations
  • 25. Register Preparations• Search Templates with API Request– POST– URI format• http://server/cimsapi/SearchTemplate– Query String - optional• ?status=active– Data• XML describing the solution we are looking for
  • 26. • Search Templates with API Response– Ranked list of matching templates• 10 – components and amounts (perfect match)• 9 – components and ratios match• 5 – components match
  • 27. DemoSearching for Templates and Embedding IM Website in ELN
  • 28. Summary• Why Integrate• Use cases• Architecture• Demos