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(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
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
• Contur ELN basics
• Extending the ELN capabilities
• RESTful API – strategy and architecture
• Solution examples
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
”Demo section”
”Demo section”
”Demo section”
(ATS6-DEV08) Integrating Contur ELN with other systems using a RESTful API
(ATS6-DEV08) Integrating Contur ELN with other systems using a RESTful API
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!
Extending the capabilities
Formulations Analytical Packaging
Domain
specific
capabilities
Domain
specific
capabilities
Domain
specific
capabilities
Contur ELN
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
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
• 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
Application example : Run PipelinePilot protocol
Choose protocol
from new toolbox in
the experiment
editor
Application example : Run PipelinePilot protocol
Input data can be
read from an ELN
section
Application example : Run PipelinePilot protocol
Run the protocol...
Application example : Run PipelinePilot protocol
Protocol reads data
from experiment
and provides
options
Application example : Run PipelinePilot protocol
...get results
Application example : Run PipelinePilot protocol
...and push back
into the experiment
Application example : Ad hoc reporting
Launch reportinging
protocol
Application example : Ad hoc reporting
...select sections
to publish
Application example : Ad hoc reporting
View report
Application example : Ad hoc reporting
...post to
SharePoint
• 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
• 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
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(ATS6-DEV08) Integrating Contur ELN with other systems using a RESTful API

  • 1. (ATS6-Dev08) Integrating Contur ELN with other systems using a RESTful API Mats Kihlén Director R&D and Pre-sales Stockholm, Sweden [email protected]
  • 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
  • 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