(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 evolve to be a general purpose API for querying and updating instance data.

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(ATS6-APP06) Accelrys LIMS and Accelrys ELN integration

  1. 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. 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. 3. Content• Integrating ELN with LIMS• Architecture made it possible• Low level demonstration of RESTful API
  4. 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. 5. IM as Data SourceImportExperimentMaterials fromInventory Mngr“Auto Lookup”Data from IMUpdate IMDatabase withquantity usedRegister newPreparationsIntegrating your Systems reduces errorsData from IMBarcodeEntryCreate newSolutions
  6. 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. 7. Auto Lookup via BarcodeEntering Barcode performs automatic Lookup for materialsdetails in IMMonitors foralready enteredmaterial
  8. 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. 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. 10. Integration Approach
  11. 11. • RESTful Web Service API– Searching• Consumables• Templates– Updating• Consumables• Embedded IM UI– Register PreparationIntegration Approach
  12. 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. 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. 14. LIMS ArchitectureIISLIMS Core ServicesEMIM IM API
  15. 15. Low Level Demos
  16. 16. Material Import
  17. 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. 18. DemoConsumable Search via API• Used for Material Import– Simple REST Client Chrome Extension
  19. 19. Reconcile Amounts
  20. 20. Reconcile Amounts• PUT• URI format– http://server/cimsapi/Consumable/{consumableId}• Query String– none• Data– Quantity as XML
  21. 21. DemoReconcile Amount via API
  22. 22. User Authentication• User Identity– SAML - Security Assertion Markup Language• IM Eligibilities– Can View, Can Process• Audit Trails– Who, What, When
  23. 23. Register Preparation
  24. 24. Register Preparations
  25. 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. 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. 27. DemoSearching for Templates and Embedding IM Website in ELN
  28. 28. Summary• Why Integrate• Use cases• Architecture• Demos