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.

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

10. Integration Approach

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

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