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Open Notebook Science for Research and Teaching   Jean-Claude Bradley February 18, 2010 National Institute for Technology in Liberal Education Associate Professor of Chemistry Drexel University Andrew Lang Professor of Mathematics Oral Roberts University
The NaH oxidation controversy
Information spreads quickly through the blogosphere
15% NMR yield
 
Khalid Mirza and Marshall Moritz
 
Top results on a Google search
How bad is our current system? Try to find the solubility EGCG?
=2.3 g/L WTF?!
The End of the Chain of Provenance
The Scandal of Bell’s Lab Notebook
Motivation:  Faster Science,   Better Science
Open Notebook Science Logos  (Andy Lang, Shirley Wu) Sharing: how much and when
There are NO FACTS,  only measurements embedded within assumptions Open Notebook Science maintains the integrity of data provenance by making assumptions explicit
TRUST PROOF
The solubility of 4-chlorobenzaldehyde
The Log makes Assumptions Explicit
The Rationale of Findings Explicit
Raw Data Made Public Splatter? Some liquid
YouTube for demonstrating experimental set-up
Calculations Made Public on  Google Spreadsheets
Revision History on  Google Spreadsheets
Wiki Page History
Comparing Wiki Page Versions
Proof of Purity with interactive NMR spectrum using JSpecView and JCAMP-DX
Linking to Molecules in Chemistry Databases
Experimental Spectra and User-Deposited Data on ChemSpider
(Andy Lang, Tony Williams) Open Data JCAMP spectra for education (Andy Lang, Tony Williams, Robert Lancashire)
Database Curation via Game Playing
Over 100,000 spectrum views so far - worldwide
Link Spectral Game to Open Educational Content
NMR game in Second Life (Andy Lang)
The Ugi reaction: can we predict precipitation? Can we predict solubility in organic solvents?
Crowdsourcing Solubility Data
ONS Submeta Award Winners
ONS Challenge Judges
Teaching Lab: Brent Friesen (Dominican University)
Solubility Experiment List
Solubilities collected in a Google Spreadsheet
Rajarshi Guha’s Live Web Query using Google Viz API
WE ARE HERE How can the scientific process become more automated?
Semi-Automated Measurement of solubility via web service analysis of JCAMP-DX files  (Andy Lang)
Solubility Measurement Requests:  DoSol sheet ,[object Object],[object Object],[object Object],[object Object]
Solubility Prediction (Andy Lang’s Model)
Solubility prediction can generate requests for additional measurements
Solvent mixture and temperature: multidimensional solubility data Actual Data  (4-nitrobenzaldehyde) From quadratic regression of 5D space Feeds DoSol Sheet the next points to measure to best cover the space
Understanding in addition to empirical modeling Missed in a prior publication on solubility for this compound
Data provenance:  From Wikipedia to…
… the lab notebook and raw data
Including links to the literature
Pierre Lindenbaum’s Solubility Data as RDF Triples
[object Object],[object Object],[object Object],How does Open Notebook Science fit with traditional publication?
Paper written on Wiki
References to papers, blog posts, lab notebook pages, raw data
Paper on Journal of Visualized Experiments (JoVE)
Pre-print on Nature Precedings
ChemSpider Automated Mark-up of Chemical Names
BUT… Open Access: the Choice that Keeps Giving.. and Giving…
Beware of your addiction to metrics: redundancy will reduce them
Cameron Neylon’s Notebooks Other Open Notebooks
Anthony Salvagno’s Notebook (Steve Koch group)
Educational “Open Notebooks”
Educational “Open Notebooks”
Educational “Open Notebooks”
Crowdsourcing ChemInfo Resource Collection
Traditional Lab Notebook (unpublished) Traditional Journal Article Open Access Journal Article Open Notebook  Science (full transparency) CLOSED OPEN Traditional Paper Textbook F2F lectures Lectures Notes public Assigned problems public Archived Lectures Public and free online textbooks RESEARCH TEACHING Where do Libraries fit in the communication of science and education in the Open/Closed Continuum?
The Missing Pieces of the Puzzle ,[object Object],[object Object],[object Object]
Librarians and Science 2.0 "The Internet Archive is a 501(c)(3) non-profit that was founded to build an Internet library, with the purpose of offering permanent access for researchers, historians, and scholars to historical collections that exist in digital format." The internet Archive is not practical for practitioners of  Open Notebook Science  or  Science 2.0 
Good concept but.....
Most pages look like this....
Where We Began: The ONS backup spreadsheet and ONSPreserver
Publishing Google Spreadsheets as XLS
Where We Are Now
ONSPreserverLite  Daily Backup of Crucial Data
ONSArchive: Semi-Automated Snapshot of the Entire Scientific Record
Snapshot is Self-Contained and  Live on the Internet
Lulu.com Data Disks
DSpace – Handle (hdl)
Lulu.com - ISBN Google Spreadsheets Google Documents Web Services ChemSpider & Indiana Real Time Linear Regression, Unit Conversions, Style Sheet, etc Data Book
 
 
Bradley, Jean-Claude; Lang Andrew. Solubilities Summary Sheet. Open Notebook Science Challenge. 2009-12-11. URL:http://spreadsheets.google.com/pub?key=plwwufp30hfq0udnEmRD1aQ&output=xls. Accessed: 2009-12-11. (Archived by WebCite® at  http://www.webcitation.org/5lx5ry3BV )
More about the ONSarchive project:

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NITLE Open Notebook Science Talk