In order to enable easy integration between Contur ELN and other informatics systems a RESTful API has been developed. Data may be extracted from ELN experiments using GET calls, but external applications can also insert results directly into the ELN record. In particular the API can be used with Accelrys Enterprise Platform to create complex flows for resolving scientific problems. Such protocols may be launched from within the ELN client.

1. (ATS6-Dev08) Integrating Contur ELN
with other systems using a RESTful API
Mats Kihlén
Director R&D and Pre-sales
Stockholm, Sweden
mats.kihlen@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
• Contur ELN basics
• Extending the ELN capabilities
• RESTful API – strategy and architecture
• Solution examples

4. Contur ELN basics
• Corporate documentation system for capturing and
sharing experimental observations
• Experiment rather than data centric
• Out-of-the-box solution
– No customized workflows
– Basic connections to other systems through lookup sections
• Common for all disciplines

5. ”Demo section”

6. ”Demo section”

7. ”Demo section”

10. Technology choice
• Traditionally we connect to other systems using ODBC
– Limited functionality
– Hard to access all data, e.g. due to serialized objects
– Vulnerable to database changes
– Not available for Cloud customers
• Communicating via an API on the application server
would be better!

11. Extending the capabilities
Formulations Analytical Packaging
Domain
specific
capabilities
Domain
specific
capabilities
Domain
specific
capabilities
Contur ELN

12. API development scope
• Based on RESTful services
– State-of-the-art technology based on http
– Very general operations: GET, DELETE, PUT, POST
• Focus on experiment content
– Extract selected information from one or several experiments (GET)
– Data returned as XML or JSON objects
– Insert data into specified experiments (PUT, POST)
• Ability to call external applications from the client
– Limited configuration of icons and buttons – currently from an experiment
– Through PipelinePilot protocols

13. REST API Syntax - example
Operation URL
Start Client http://w2k8-contur-eln.accelrys.net/
Get Information about the system: Users Fetch all users
http://w2k8-contur-eln.accelrys.net/api/v1/users <--
A user
http://w2k8-contur-eln.accelrys.net/api/v1/users/1704
http://w2k8-contur-eln.accelrys.net/api/v1/users/821
Get information about experiments of a user http://w2k8-contur-eln.accelrys.net/api/v1/users/1704/experiments
Fetch author of an experiment http://w2k8-contur-eln.accelrys.net/api/v1/experiments/EXP-12-AA0103/author
Get an experiment http://w2k8-contur-eln.accelrys.net/api/v1/experiments/EXP-12-AA0103
Get a sections of an experiment http://w2k8-contur-eln.accelrys.net/api/v1/experiments/EXP-12-AA0103/sections
Get data of a section http://w2k8-contur-eln.accelrys.net/api/v1/sections/1050
http://w2k8-contur-eln.accelrys.net/api/v1/sections/{ID}/data
http://w2k8-contur-eln.accelrys.net/api/v1/data/1051
API Help file

14. • Launch PLP protocols from the Contur ELN client and have the
result documented in an experiment
– List of available protocols in the experiment toolbox
– Synchronous or asynchronous running mode
– Input interactively and/or from Contur ELN sections
– Results pushed back into ELN experiment (as text, image, Excel-file,
file attachment etc)
• Component collection embedding API calls will be available
– Direct API calls from any application also possible
Calling applications

15. Application example : Run PipelinePilot protocol
Choose protocol
from new toolbox in
the experiment
editor

16. Application example : Run PipelinePilot protocol
Input data can be
read from an ELN
section

17. Application example : Run PipelinePilot protocol
Run the protocol...

18. Application example : Run PipelinePilot protocol
Protocol reads data
from experiment
and provides
options

19. Application example : Run PipelinePilot protocol
...get results

20. Application example : Run PipelinePilot protocol
...and push back
into the experiment

21. Application example : Ad hoc reporting
Launch reportinging
protocol

22. Application example : Ad hoc reporting
...select sections
to publish

23. Application example : Ad hoc reporting
View report

24. Application example : Ad hoc reporting
...post to
SharePoint

25. • First version planned for June 2013 release
– All GET, some PUT and POST
– Focus on experiment content
– The Web client is refactored to use API communication
– Available on the Cloud
• Second version November 2013
– All PUT/POST actions
– Non-experiment calls (user statistics etc)
– Finalize Web client to only use API as communication method
– Call PLP protocols from the Web client
Status and Release plans

26. • Keeping the core ELN out-of-the-box is critical
• The new API provides an efficient communication method
allowing integration, both with external systems and to build
functional extensions
• The API will also be available for the Cloud
• Building clients on the API facilitates good quality and
performance
Conclusions