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Logs, Blogs and Pods Smart Electronic Laboratory Notebooks e-Research Open Meeting 2009 Reading Jeremy G. Frey School of Chemistry  University of Southampton
Talk ,[object Object],[object Object],[object Object],[object Object]
“ The internet wasn't created for mockery! It was created so scientists from different universities could share datasets....”  Simpson, H.   The Simpsons  (2005), Eds. Groening, M., Brooks, J.L. & Simon, S.,  Series 16, Episode 8, Original air date (US) 06-Feb-2005. http://www.tvtome.com/tvtome/servlet/GuidePageServlet/showid-146/epid-346864/
The Comb e Chem Project ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
The Data Explosion Exponential growth The future overwhelms the past, but the past must not be lost PDB deposited  structures CCDC deposited structures
Chemists and programming ,[object Object],You still use FORTRAN!! What about that! His brain uses old vacuum tubes
Typical laboratory conversations If only I knew exactly how she did this experiments I know all this supplementary information could be useful but will people really remember the format? Is it worth all the hassle? I wish I could get the numbers from this graph - the pdf is not much use. I wish I had recorded things at the start the way I do now…..
Some problems are due to the lack of information recorded at the time, others are due to loss of information over time. Supervisors and Managers I am sure we collected that  information a few years ago… The details should be  in her lab book…..   Can you read what it  says here….? Can you find the files  of data that were used  to make the plot?
Faraday’s laboratory notebooks are also remarkable in the amount of detail that they give about the design and setting up of experiments, interspersed with comments about their outcome and thoughts of a more philosophical kind. All are couched in plain language, with many vivid phrases of delightful spontaneity…. Peter Day, ‘The Philosopher’s Tree: A Selection of Michael Faraday’s Writings’
Mixture of text, images, plans, data
Electronic Laboratory Notebooks Permanent,  documented and primary record of  laboratory  observations
If you are caught using the  “ scrap of paper” technique,  your improperly recorded data  may be confiscated by your TA Observations   are   never collected on note pads, filter paper or other  temporary  paper for  later transfer into a  notebook
Attach Date Cut and Paste
Cross reference Ontology and Folksonomy  Folksonomy (also known as collaborative tagging, social classification, social indexing, and social tagging)  Provenance, Probity and Priority
Discussions
BUT – the data needs to be recorded somewhere! The data only lives if connected to the laboratory notebook to provide the context.  This link while essential is often fragile.
Electronic Laboratory Notebooks
He is charged with expressing contempt for meta-data meta Key is to make recording of the metadata easy and as automated as possible
COSHH Leverage off things we already have to do “ We have a cunning plan”
 
Smart Tea Project - User Centred Design, Design by Analogy to ensure the correct information is captured simply and easily.
The Two Interfaces Planning and Review Implementation
Procedure
Into the Lab!
Into the Lab!
 
Plans ,[object Object],[object Object],[object Object],[object Object],[object Object]
Laboratory “Blogs” ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
Implementation of e-lab book ,[object Object],[object Object],[object Object],[object Object],http://chemtools.chem.soton.ac.uk/projects/blog /   “Bio Blogs” http://blogs.openwetware.org/scienceintheopen   Discussion
Implementation of e-lab book ,[object Object],[object Object],[object Object]
Templates
LIVECOP LINK <METADATA> <TITLE>album09 - jrh4880_19_competent_transformation_from_ligation</TITLE> <SIZE_X>1300</SIZE_X> <SIZE_Y>1026</SIZE_Y> <THUMB_SRC> http://imgstore.chem.soton.ac.uk/albums/album09/jrh4880_19_competent_transformation_from_ligation.thumb.jpg </THUMB_SRC> <PREVIEW_SRC> http://imgstore.chem.soton.ac.uk/albums/album09/jrh4880_19_competent_transformation_from_ligation.sized.jpg </PREVIEW_SRC> <PICTURE_URL> http://imgstore.chem.soton.ac.uk/album09/jrh4880_19_competent_transformation_from_ligation </PICTURE_URL> </METADATA>
Link to objects
Issues ,[object Object],[object Object],[object Object],[object Object],[object Object],Remember we do have a physical world to keep in sync
 
  19 June 2008 10:32   / Journal publication Test Data RESULTS! Conference reports Grant Applications Analysis Management Time Line View
An rdf graph of posts and links between them rendered using Welkin (simile.mit.edu/welkin) Sortase Experiment Map of the X-Ray Blog (comments not shown)
 
Environment ,[object Object],[object Object]
Pub-Sub systems provide the flexible & extensible approach to distribution of real time laboratory monitoring & archiving Smart Laboratory Spaces
“ I just realized, Howard, that everything in this apartment is more sophisticated than we are”
Blog-jects ,[object Object],[object Object],[object Object],[object Object]
Blog-jects ,[object Object],[object Object],[object Object],[object Object]
Lab environment data and experimental output linked
Comments and Annotation A picture worth a thousand words!  Chemists like to sketch!
 
Can we have both the web 2.0 Blog style and the Semantics of the ELN? YES!
 
Simple Experiment Ontology
 
 
 
 
Impact on researchers ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
Influence on Meetings and Discussions ,[object Object],[object Object],[object Object],[object Object]
 
Growing need for the global (virtual) equivalent of the “Tea Room”
Separating Data from Interpretations: A crystallography example   Underlying data Intellect & Interpretation
Access to  ALL  underlying data eBank & eCrystals
Information Providers Information Consumers These are the same people – if we can ‘talk’ to ourselves efficiently over time then that is a good start to be able to ‘talk’ to others
 
 
Thanks ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
Excerpted from  the Onion : The Recording Industry Association of America announced Tuesday that it will be taking legal action against anyone discovered telling friends, acquaintances, or associates about new songs, artists, or albums.  Data Sharing  &quot;We are merely exercising our right to defend our intellectual properties from unauthorized peer-to-peer notification of the existence of copyrighted material.&quot;  A daring daylight raid of copyright material ACS
Validation ,[object Object],[object Object],[object Object],Need provenance and context otherwise just a collection of items

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Logs, Blogs and Pods Smart e-Notebooks for Lab Data Sharing

  • 1. Logs, Blogs and Pods Smart Electronic Laboratory Notebooks e-Research Open Meeting 2009 Reading Jeremy G. Frey School of Chemistry University of Southampton
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  • 3. “ The internet wasn't created for mockery! It was created so scientists from different universities could share datasets....” Simpson, H. The Simpsons (2005), Eds. Groening, M., Brooks, J.L. & Simon, S., Series 16, Episode 8, Original air date (US) 06-Feb-2005. http://www.tvtome.com/tvtome/servlet/GuidePageServlet/showid-146/epid-346864/
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  • 5. The Data Explosion Exponential growth The future overwhelms the past, but the past must not be lost PDB deposited structures CCDC deposited structures
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  • 7. Typical laboratory conversations If only I knew exactly how she did this experiments I know all this supplementary information could be useful but will people really remember the format? Is it worth all the hassle? I wish I could get the numbers from this graph - the pdf is not much use. I wish I had recorded things at the start the way I do now…..
  • 8. Some problems are due to the lack of information recorded at the time, others are due to loss of information over time. Supervisors and Managers I am sure we collected that information a few years ago… The details should be in her lab book….. Can you read what it says here….? Can you find the files of data that were used to make the plot?
  • 9. Faraday’s laboratory notebooks are also remarkable in the amount of detail that they give about the design and setting up of experiments, interspersed with comments about their outcome and thoughts of a more philosophical kind. All are couched in plain language, with many vivid phrases of delightful spontaneity…. Peter Day, ‘The Philosopher’s Tree: A Selection of Michael Faraday’s Writings’
  • 10. Mixture of text, images, plans, data
  • 11. Electronic Laboratory Notebooks Permanent, documented and primary record of laboratory observations
  • 12. If you are caught using the “ scrap of paper” technique, your improperly recorded data may be confiscated by your TA Observations are never collected on note pads, filter paper or other temporary paper for later transfer into a notebook
  • 13. Attach Date Cut and Paste
  • 14. Cross reference Ontology and Folksonomy Folksonomy (also known as collaborative tagging, social classification, social indexing, and social tagging) Provenance, Probity and Priority
  • 16. BUT – the data needs to be recorded somewhere! The data only lives if connected to the laboratory notebook to provide the context. This link while essential is often fragile.
  • 18. He is charged with expressing contempt for meta-data meta Key is to make recording of the metadata easy and as automated as possible
  • 19. COSHH Leverage off things we already have to do “ We have a cunning plan”
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  • 21. Smart Tea Project - User Centred Design, Design by Analogy to ensure the correct information is captured simply and easily.
  • 22. The Two Interfaces Planning and Review Implementation
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  • 32. LIVECOP LINK <METADATA> <TITLE>album09 - jrh4880_19_competent_transformation_from_ligation</TITLE> <SIZE_X>1300</SIZE_X> <SIZE_Y>1026</SIZE_Y> <THUMB_SRC> http://imgstore.chem.soton.ac.uk/albums/album09/jrh4880_19_competent_transformation_from_ligation.thumb.jpg </THUMB_SRC> <PREVIEW_SRC> http://imgstore.chem.soton.ac.uk/albums/album09/jrh4880_19_competent_transformation_from_ligation.sized.jpg </PREVIEW_SRC> <PICTURE_URL> http://imgstore.chem.soton.ac.uk/album09/jrh4880_19_competent_transformation_from_ligation </PICTURE_URL> </METADATA>
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  • 35.  
  • 36.   19 June 2008 10:32   / Journal publication Test Data RESULTS! Conference reports Grant Applications Analysis Management Time Line View
  • 37. An rdf graph of posts and links between them rendered using Welkin (simile.mit.edu/welkin) Sortase Experiment Map of the X-Ray Blog (comments not shown)
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  • 40. Pub-Sub systems provide the flexible & extensible approach to distribution of real time laboratory monitoring & archiving Smart Laboratory Spaces
  • 41. “ I just realized, Howard, that everything in this apartment is more sophisticated than we are”
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  • 44. Lab environment data and experimental output linked
  • 45. Comments and Annotation A picture worth a thousand words! Chemists like to sketch!
  • 46.  
  • 47. Can we have both the web 2.0 Blog style and the Semantics of the ELN? YES!
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  • 57. Growing need for the global (virtual) equivalent of the “Tea Room”
  • 58. Separating Data from Interpretations: A crystallography example Underlying data Intellect & Interpretation
  • 59. Access to ALL underlying data eBank & eCrystals
  • 60. Information Providers Information Consumers These are the same people – if we can ‘talk’ to ourselves efficiently over time then that is a good start to be able to ‘talk’ to others
  • 61.  
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  • 64. Excerpted from the Onion : The Recording Industry Association of America announced Tuesday that it will be taking legal action against anyone discovered telling friends, acquaintances, or associates about new songs, artists, or albums. Data Sharing &quot;We are merely exercising our right to defend our intellectual properties from unauthorized peer-to-peer notification of the existence of copyrighted material.&quot; A daring daylight raid of copyright material ACS
  • 65.