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(ATS6-APP06) Accelrys LIMS and
Accelrys ELN Integration
Bert Rosell
Group Leader, Software Development
LIMS R&D
bert.rosell@accelrys.com
Todd Clement
Senior Product Manager
Accelrys ELN Product Management
todd.clement@accelrys.com
The information on the roadmap and future software development efforts are
intended to outline general product direction and should not be relied on in making
a purchasing decision.
Content
• Integrating ELN with LIMS
• Architecture made it possible
• Low level demonstration of RESTful API
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 laboratories
Status:
• 8 use cases defined – 6 implemented
• Modeled after SmartLab / CIMS
integration
• Focus on solutions with support
for expiry dates
• Reviewed use cases with field
personnel and customers
Notebook & Inventory Manager (IM) Integration
IM as Data Source
Import
Experiment
Materials from
Inventory Mngr
“Auto Lookup”
Data from IM
Update IM
Database with
quantity used
Register new
Preparations
Integrating your Systems reduces errors
Data from IM
Barcode
Entry
Create new
Solutions
Material Import from Inventory Manager
Search using the standard
AELN Materials Import
Expired containers are
flagged and obvious
Search for one or more
materials at onceContainer information
from IM per Customer
configuration
Auto Lookup via Barcode
Entering Barcode performs automatic Lookup for materials
details in IM
Monitors for
already entered
material
Select Materials
and select
‘Reconcile’
Create new
Solutions
Reconcile Amounts in Inventory Manager
Individual Material
amounts are totaled from
the Preparations; Amount
Remaining is calculated
Select Reconcile to update
container quantities in
Inventory
Register Preparations into Inventory Manager
Select one or more
Preparations and select
‘Register Materials’
Select a matching
Inventory Template to
register the Preparation
Enter appropriate
inventory information and
register
Barcode is generated and
returned to the experiment
Integration Approach
• RESTful Web Service API
– Searching
• Consumables
• Templates
– Updating
• Consumables
• Embedded IM UI
– Register Preparation
Integration Approach
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
• Searches
– Consumables (Materials)
• For Material Import
• Search by name, CAS and
Barcode or id
– Templates by Solution
Components
• For Register Preparation
• Includes fuzzy logic to Rank
templates
• Updates
– Consumable Quantity
IM API Features
LIMS Architecture
IIS
LIMS Core Services
EMIM IM API
Low Level Demos
Material Import
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’
DemoConsumable Search via API
• Used for Material Import
– Simple REST Client Chrome Extension
Reconcile Amounts
Reconcile Amounts
• PUT
• URI format
– http://server/cimsapi/Consumable/{consumableId}
• Query String
– none
• Data
– Quantity as XML
DemoReconcile Amount via API
User Authentication
• User Identity
– SAML - Security Assertion Markup Language
• IM Eligibilities
– Can View, Can Process
• Audit Trails
– Who, What, When
Register Preparation
Register Preparations
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
• Search Templates with API Response
– Ranked list of matching templates
• 10 – components and amounts (perfect match)
• 9 – components and ratios match
• 5 – components match
DemoSearching for Templates and Embedding IM Website in ELN
Summary
• Why Integrate
• Use cases
• Architecture
• Demos

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(ATS6-APP06) Accelrys LIMS and Accelrys ELN integration

  • 1. (ATS6-APP06) Accelrys LIMS and Accelrys ELN Integration Bert Rosell Group Leader, Software Development LIMS R&D bert.rosell@accelrys.com Todd Clement Senior Product Manager Accelrys ELN Product Management todd.clement@accelrys.com
  • 2. The information on the roadmap and future software development efforts are intended to outline general product direction and should not be relied on in making a 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 laboratories Status: • 8 use cases defined – 6 implemented • Modeled after SmartLab / CIMS integration • Focus on solutions with support for expiry dates • Reviewed use cases with field personnel and customers Notebook & Inventory Manager (IM) Integration
  • 5. IM as Data Source Import Experiment Materials from Inventory Mngr “Auto Lookup” Data from IM Update IM Database with quantity used Register new Preparations Integrating your Systems reduces errors Data from IM Barcode Entry Create new Solutions
  • 6. Material Import from Inventory Manager Search using the standard AELN Materials Import Expired containers are flagged and obvious Search for one or more materials at onceContainer information from IM per Customer configuration
  • 7. Auto Lookup via Barcode Entering Barcode performs automatic Lookup for materials details in IM Monitors for already entered material
  • 8. Select Materials and select ‘Reconcile’ Create new Solutions Reconcile Amounts in Inventory Manager Individual Material amounts are totaled from the Preparations; Amount Remaining is calculated Select Reconcile to update container quantities in Inventory
  • 9. Register Preparations into Inventory Manager Select one or more Preparations and select ‘Register Materials’ Select a matching Inventory Template to register the Preparation Enter appropriate inventory information and register Barcode is generated and returned to the experiment
  • 11. • RESTful Web Service API – Searching • Consumables • Templates – Updating • Consumables • Embedded IM UI – Register Preparation Integration 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 and Barcode or id – Templates by Solution Components • For Register Preparation • Includes fuzzy logic to Rank templates • Updates – Consumable Quantity IM API Features
  • 14. LIMS Architecture IIS LIMS Core Services EMIM IM API
  • 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
  • 20. Reconcile Amounts • PUT • URI format – http://server/cimsapi/Consumable/{consumableId} • Query String – none • Data – Quantity as XML
  • 22. User Authentication • User Identity – SAML - Security Assertion Markup Language • IM Eligibilities – Can View, Can Process • Audit Trails – Who, What, When
  • 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