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Responsible, Reproducible
Research & FAIR Data
Jeremy G. Frey
University of Southampton
Faraday Division Chemistry software tools meeting
28/12/2018
Jeremy Frey Faraday Division Chemistry software tools
meeting
1
Science Ajarcc: Nick Fedele - https://www.flickr.com/photos/62022623@N05
28/12/2018
Jeremy Frey Faraday Division Chemistry software tools
meeting
2
Social Media
• Twitter #FaradayChemTools
• Slack https://tinyurl.com/yc4ccqaf
28/12/2018
Jeremy Frey Faraday Division Chemistry software tools
meeting
3
28/12/2018
Jeremy Frey Faraday Division Chemistry software tools
meeting
4
researcher
cc: João Silas - https://unsplash.com/@joaosilas?utm_source=haikudeck&utm_medium=referral&utm_campaign=api-credit
28/12/2018
Jeremy Frey Faraday Division Chemistry software tools
meeting
5
28/12/2018
Jeremy Frey Faraday Division Chemistry software tools
meeting
6
Physical & Digital Chemist
Open Access
cc: AmyZZZ1 - https://www.flickr.com/photos/42232541@N04
28/12/2018
Jeremy Frey Faraday Division Chemistry software tools
meeting
7
28/12/2018
Jeremy Frey Faraday Division Chemistry software tools
meeting
8
University of Southampton
28/12/2018
Jeremy Frey Faraday Division Chemistry software tools
meeting
9
Open Datacc: bionicteaching - https://www.flickr.com/photos/29096601@N00
28/12/2018
Jeremy Frey Faraday Division Chemistry software tools
meeting
10
FAIR
FAIR & GO FAIR
FAIR
• Findable
• Accessible
• Interoperable
• Re-useable
• https://www.go-fair.org/fair-
principles/
GO FAIR
• GO FAIR proposes the
completely inclusive, open, and
practical implementation of the
recommendations of the EOSC
High Level Expert Group through
a federated approach,
• https://www.go-fair.org
28/12/2018
Jeremy Frey Faraday Division Chemistry software tools
meeting
11
28/12/2018
Jeremy Frey Faraday Division Chemistry software tools
meeting
12
28/12/2018
Jeremy Frey Faraday Division Chemistry software tools
meeting
13
28/12/2018
Jeremy Frey Faraday Division Chemistry software tools
meeting
14
Provenance
• Text & Data Mining
• Tracking all the data back to
the actual experiments and
methods.
28/12/2018
Jeremy Frey Faraday Division Chemistry software tools
meeting
15
Software too ….
28/12/2018
Jeremy Frey Faraday Division Chemistry software tools
meeting
16
transparency
cc: Rene Mensen - https://www.flickr.com/photos/44206268@N07
28/12/2018
Jeremy Frey Faraday Division Chemistry software tools
meeting
17
The changing nature
or research
New ideas
cc: teachernz - https://www.flickr.com/photos/66893217@N00
28/12/2018
Jeremy Frey Faraday Division Chemistry software tools
meeting
18
28/12/2018
Jeremy Frey Faraday Division Chemistry software tools
meeting
19
Sharing… Standards, WWW…..
28/12/2018
Jeremy Frey Faraday Division Chemistry software tools
meeting
20
impact of my research
cc: bump - https://www.flickr.com/photos/41894166111@N01
28/12/2018
Jeremy Frey Faraday Division Chemistry software tools
meeting
21
Networkscc: Nicolas Picard - https://unsplash.com/@artnok?utm_source=haikudeck&utm_medium=referral&utm_campaign=api-credit
28/12/2018
Jeremy Frey Faraday Division Chemistry software tools
meeting
22
28/12/2018
Jeremy Frey Faraday Division Chemistry software tools
meeting
23
Networks
How do we go from here….
28/12/2018
Jeremy Frey Faraday Division Chemistry software tools
meeting
24
28/12/2018
Jeremy Frey Faraday Division Chemistry software tools
meeting
25
Scientific Dissemination – A Liminal Period?
• Transition from ‘paper’ to ‘digital’
• Open Dissemination
• Open Peer Review
• Transparency & Impact
Liminal phase of a rite of passage: Albert
Anker's Die Ziviltrauung, "the Civil Marriage,"
1887
28/12/2018
Jeremy Frey Faraday Division Chemistry software tools
meeting
26
28/12/2018
Jeremy Frey Faraday Division Chemistry software tools
meeting
27
All I am saying is that now is the time to
develop the technology to deflect an asteroid
We must speed up the knowledge discovery process
28/12/2018
Jeremy Frey Faraday Division Chemistry software tools
meeting
28
The System
adapted from Atul Gawande 2014 Reith Lectures
• “Primitive idea”
• You ought to do x.
• Medieval approach
• You must do x! You must follow the standards
• Or we will take away your grant….!
• Modern world(?)
• Becomes the norm, make it easy to do
• Checklists
• Feedback loops
28/12/2018
Jeremy Frey Faraday Division Chemistry software tools
meeting
29
Today’s Event
• How to find data
• How to record data - Electronic Laboratory Notebooks
• How to record computations - Computational Notebooks
• Quality records for data and software - Sustainable Software Best
Practice
• Collaborative Working
• Presentation techniques
28/12/2018
Jeremy Frey Faraday Division Chemistry software tools
meeting
30
Open Access
Economics?
Open Data
Science?
Open Advice
Government?
28/12/2018
Jeremy Frey Faraday Division Chemistry software tools
meeting
31
28/12/2018
Jeremy Frey Faraday Division Chemistry software tools
meeting
32
“Engrooved*”
* concept highlighted in teaching
by Paul Trowler
• http://www.brad.ac.uk/sustainabl
e-
universities/media/sustainableuni
versities/Keynote-Prof-Paul-
Trowler.pdf
28/12/2018
Jeremy Frey Faraday Division Chemistry software tools
meeting
http://www.todayandtomorrow.net/201
0/02/22/quarter-mile-groove/
33
Trust me Mort - no electronic communications
superhighway, no matter how vast and sophisticated,
will ever replace the art of the schmooze
Thank you for listening
28/12/2018
Jeremy Frey Faraday Division Chemistry software tools
meeting
34

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Responsible, Reproducible Research & FAIR DATA

  • 1. Responsible, Reproducible Research & FAIR Data Jeremy G. Frey University of Southampton Faraday Division Chemistry software tools meeting 28/12/2018 Jeremy Frey Faraday Division Chemistry software tools meeting 1
  • 2. Science Ajarcc: Nick Fedele - https://www.flickr.com/photos/62022623@N05 28/12/2018 Jeremy Frey Faraday Division Chemistry software tools meeting 2
  • 3. Social Media • Twitter #FaradayChemTools • Slack https://tinyurl.com/yc4ccqaf 28/12/2018 Jeremy Frey Faraday Division Chemistry software tools meeting 3
  • 4. 28/12/2018 Jeremy Frey Faraday Division Chemistry software tools meeting 4
  • 5. researcher cc: João Silas - https://unsplash.com/@joaosilas?utm_source=haikudeck&utm_medium=referral&utm_campaign=api-credit 28/12/2018 Jeremy Frey Faraday Division Chemistry software tools meeting 5
  • 6. 28/12/2018 Jeremy Frey Faraday Division Chemistry software tools meeting 6 Physical & Digital Chemist
  • 7. Open Access cc: AmyZZZ1 - https://www.flickr.com/photos/42232541@N04 28/12/2018 Jeremy Frey Faraday Division Chemistry software tools meeting 7
  • 8. 28/12/2018 Jeremy Frey Faraday Division Chemistry software tools meeting 8 University of Southampton
  • 9. 28/12/2018 Jeremy Frey Faraday Division Chemistry software tools meeting 9
  • 10. Open Datacc: bionicteaching - https://www.flickr.com/photos/29096601@N00 28/12/2018 Jeremy Frey Faraday Division Chemistry software tools meeting 10 FAIR
  • 11. FAIR & GO FAIR FAIR • Findable • Accessible • Interoperable • Re-useable • https://www.go-fair.org/fair- principles/ GO FAIR • GO FAIR proposes the completely inclusive, open, and practical implementation of the recommendations of the EOSC High Level Expert Group through a federated approach, • https://www.go-fair.org 28/12/2018 Jeremy Frey Faraday Division Chemistry software tools meeting 11
  • 12. 28/12/2018 Jeremy Frey Faraday Division Chemistry software tools meeting 12
  • 13. 28/12/2018 Jeremy Frey Faraday Division Chemistry software tools meeting 13
  • 14. 28/12/2018 Jeremy Frey Faraday Division Chemistry software tools meeting 14
  • 15. Provenance • Text & Data Mining • Tracking all the data back to the actual experiments and methods. 28/12/2018 Jeremy Frey Faraday Division Chemistry software tools meeting 15
  • 16. Software too …. 28/12/2018 Jeremy Frey Faraday Division Chemistry software tools meeting 16
  • 17. transparency cc: Rene Mensen - https://www.flickr.com/photos/44206268@N07 28/12/2018 Jeremy Frey Faraday Division Chemistry software tools meeting 17 The changing nature or research
  • 18. New ideas cc: teachernz - https://www.flickr.com/photos/66893217@N00 28/12/2018 Jeremy Frey Faraday Division Chemistry software tools meeting 18
  • 19. 28/12/2018 Jeremy Frey Faraday Division Chemistry software tools meeting 19 Sharing… Standards, WWW…..
  • 20. 28/12/2018 Jeremy Frey Faraday Division Chemistry software tools meeting 20
  • 21. impact of my research cc: bump - https://www.flickr.com/photos/41894166111@N01 28/12/2018 Jeremy Frey Faraday Division Chemistry software tools meeting 21
  • 22. Networkscc: Nicolas Picard - https://unsplash.com/@artnok?utm_source=haikudeck&utm_medium=referral&utm_campaign=api-credit 28/12/2018 Jeremy Frey Faraday Division Chemistry software tools meeting 22
  • 23. 28/12/2018 Jeremy Frey Faraday Division Chemistry software tools meeting 23 Networks
  • 24. How do we go from here…. 28/12/2018 Jeremy Frey Faraday Division Chemistry software tools meeting 24
  • 25. 28/12/2018 Jeremy Frey Faraday Division Chemistry software tools meeting 25
  • 26. Scientific Dissemination – A Liminal Period? • Transition from ‘paper’ to ‘digital’ • Open Dissemination • Open Peer Review • Transparency & Impact Liminal phase of a rite of passage: Albert Anker's Die Ziviltrauung, "the Civil Marriage," 1887 28/12/2018 Jeremy Frey Faraday Division Chemistry software tools meeting 26
  • 27. 28/12/2018 Jeremy Frey Faraday Division Chemistry software tools meeting 27
  • 28. All I am saying is that now is the time to develop the technology to deflect an asteroid We must speed up the knowledge discovery process 28/12/2018 Jeremy Frey Faraday Division Chemistry software tools meeting 28
  • 29. The System adapted from Atul Gawande 2014 Reith Lectures • “Primitive idea” • You ought to do x. • Medieval approach • You must do x! You must follow the standards • Or we will take away your grant….! • Modern world(?) • Becomes the norm, make it easy to do • Checklists • Feedback loops 28/12/2018 Jeremy Frey Faraday Division Chemistry software tools meeting 29
  • 30. Today’s Event • How to find data • How to record data - Electronic Laboratory Notebooks • How to record computations - Computational Notebooks • Quality records for data and software - Sustainable Software Best Practice • Collaborative Working • Presentation techniques 28/12/2018 Jeremy Frey Faraday Division Chemistry software tools meeting 30
  • 31. Open Access Economics? Open Data Science? Open Advice Government? 28/12/2018 Jeremy Frey Faraday Division Chemistry software tools meeting 31
  • 32. 28/12/2018 Jeremy Frey Faraday Division Chemistry software tools meeting 32
  • 33. “Engrooved*” * concept highlighted in teaching by Paul Trowler • http://www.brad.ac.uk/sustainabl e- universities/media/sustainableuni versities/Keynote-Prof-Paul- Trowler.pdf 28/12/2018 Jeremy Frey Faraday Division Chemistry software tools meeting http://www.todayandtomorrow.net/201 0/02/22/quarter-mile-groove/ 33
  • 34. Trust me Mort - no electronic communications superhighway, no matter how vast and sophisticated, will ever replace the art of the schmooze Thank you for listening 28/12/2018 Jeremy Frey Faraday Division Chemistry software tools meeting 34