The Spectral Game: Learning spectroscopy using open data Jean-Claude Bradley August 17, 2009 American Chemical Society Associate Professor of Chemistry Drexel University Antony Williams Chemspider /RSC

Open and Closed Science Traditional Lab Notebook (unpublished) Traditional Journal Article Open Access Journal Article Open Notebook Science (full transparency) CLOSED OPEN Traditional Paper Textbook F2F lectures Lectures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

Motivation: Faster Science, Better Science

There are NO FACTS, only measurements embedded within assumptions Open Notebook Science maintains the integrity of data provenance by making assumptions explicit

TRUST PROOF

Raw Data Made Public Splatter? Some liquid

YouTube for demonstrating experimental set-up

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 (Jean-Claude Bradley, Andy Lang, Tony Williams, Robert Lancashire)

The game starts easy

Later in the game: time limit and more molecules

Database Curation via Game Playing

Flagged spectra get investigated

Over 50,000 spectrum views so far - worldwide

2D NMR viewer built (Andy Lang)

NMR game in Second Life (Andy Lang)

Interacting with the spectra via chat

Say: zoom 2.1-2.3

Semi-Automated Measurement of solubility via web service analysis of JCAMP-DX files (Andy Lang)

Article on the game also open

Article written in the open on a wiki

Another open paper on the Journal of Visualized Experiments (JoVE)

Pre-print on Nature Precedings

ChemSpider Automated Mark-up of Chemical Names

Link Spectral Game to Open Educational Content

Lecture screencasts available

Remixing Code and Content (Andy Lang)