Category Archives: data

Open Notebook NMR – another outlier

Posted on October 25, 2007 by pm286

Here is another unexplained outlier in the first 100 entries. We’d be very grateful if anyone could confirm that it is in error (probably requires reading the original paper). nmrshiftdb2562-1 (solvent: chloroform) most of the outliers can be explained by … Continue reading →

Posted in data, nmr, open notebook science | 3 Comments

Open Knowledge Foundation

Posted on October 24, 2007 by pm286

3 Years ago Rufus Pollock met up with me in Cambridge – I think in conjunction with concern over European legislation on copyright. He told me that he was starting “knowledge forge” – a similar approach to sourceforge, but for … Continue reading →

Posted in data, open issues | Leave a comment

Open Notebook NMR – Outliers

Posted on October 23, 2007 by pm286

Egon asks: Egon Willighagen Says: October 23rd, 2007 at 4:00 pm eWhere in which wiki can I find the outliers? That would allows people to indicate problems, and possible annotate existing publications with ratings (”this article has a incorrectly assigned … Continue reading →

Posted in data, nmr, open notebook science | Leave a comment

Open Notebook NMR : the act of discovery

Posted on October 23, 2007 by pm286

Things are happening so fast on the Open Notebook NMR project that we need to take stock. Here’s today’s developments: Nick Day is working round the clock to manage the data and create the plots. He has a thesis to … Continue reading →

Posted in data, nmr, open notebook science | 1 Comment

Open Notebook NMR: Anticipated errors

Posted on October 22, 2007 by pm286

Nick and I sat down this morning and thought about what possible errors might arise in the “data” or “experimental” axis and also on the “predicted” axis. Some of these may overlap with Antony’s suggestions but they are independent. An … Continue reading →

Posted in chemistry, data, nmr, open notebook science | Leave a comment

Open Notebook NMR – cont

Posted on October 22, 2007 by pm286

We are now close to releasing the first results of the calculations – at present 300+ molecules. We think that really major foul-ups have been superseded (i.e. when all the Gaussian files failed to run because of a missing blank … Continue reading →

Posted in data, nmr, open notebook science | 1 Comment

A graph

Posted on October 21, 2007 by pm286

In the tradition of Rich Apodaca’s “Name that graph” (example), here is a graph without axes. You will be seeing more of these later.

Posted in data, puzzles | 4 Comments

Industry suffers from Closed Data

Posted on October 16, 2007 by pm286

I received the following unsolicited mail two days ago from a scientist in a major chemical company [I have anonymised everything so you will have to take my word]. I work [in industry] and am very interested in improving our … Continue reading →

Posted in data, open issues | 3 Comments

What does "Open Access" mean

Posted on October 15, 2007 by pm286

Stevan Harnad is one of the founders of the OA movement and has tirelessly promoted the idea of Green and Gold OA. I applaud and support Stevan’s achievements. However I find and argue that Green Access does not give the … Continue reading →

Posted in data, open issues | 5 Comments

Open-Data-driven science and a brokering system for ONS

Posted on October 14, 2007 by pm286

Cameron Neylon and Jean-Claude Bradley have blogged about a directory of Open Notebook Science (ONS) where projects including this approach can register. Growing a community – Open Notebook Science directories 21:19 14/10/2007, Cameron Neylon, As has been flagged up by … Continue reading →

Posted in blueobelisk, data, open issues, open notebook science | 6 Comments