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Illegible spectrum

Open petermr opened this issue 12 years ago • 4 comments

I published this on my blog about 6 years ago. I think this was from a ***** ******** ** Chemistry journal but hold fire till I check. suppdata This was, of course , digital data in the spectrometer (perhaps 2^16 points)

petermr avatar Nov 22 '13 18:11 petermr

@petermr so was the point here that the data was not provided at all - just the graph?

rufuspollock avatar Nov 23 '13 19:11 rufuspollock

Rufus, [Sit down before you read my reply.]

Number of spectra output from machines in digital form : approx 5 million / year (maybe 1 billion dollars)

Number of spectra published as PDF/png/tiff : approx 5 million / year (maybe 1 billion dollars)

Number of spectra published as data: approx ZERO /year

Data loss approx 1 billion dollars or worse.

On Sat, Nov 23, 2013 at 7:02 PM, Rufus Pollock [email protected]:

@petermr https://github.com/petermr so was the point here that the data was not provided at all - just the graph?

— Reply to this email directly or view it on GitHubhttps://github.com/okfn/bad-data/issues/6#issuecomment-29139011 .

Peter Murray-Rust Reader in Molecular Informatics Unilever Centre, Dep. Of Chemistry University of Cambridge CB2 1EW, UK +44-1223-763069

petermr avatar Nov 23 '13 19:11 petermr

@petermr got you but for this specific example could we explain succinctly how data could have been provided - e.g. make explicit what the difference is between that graph and what could have been?

rufuspollock avatar Nov 24 '13 17:11 rufuspollock

I have spent 10 years of my life trying to get chemists to do something as simple as save the digital output from the spectrometer. It's driven me wild. So has Henry Rzepa. When when the data is fraudulent, and proved to be so in public and when the simple device of providing the data would have averted this they STILL continue to print it out on paper.

When Tony Hey was invited to speak to Am Chem Soc he came away shell-shocked that such primitive life forms still existed...

Is there a positive way forward? The chemistry in the Imperial repository is closed for 5 years minimum - in case someone SEES it.

Maybe if David Willetts can tell the chemists ... but then I'd be a class traitor...

P.

On Sun, Nov 24, 2013 at 5:51 PM, Rufus Pollock [email protected]:

@petermr https://github.com/petermr got you but for this _specific_example could we explain succinctly how data could have been provided - e.g. make explicit what the difference is between that graph and what could have been?

— Reply to this email directly or view it on GitHubhttps://github.com/okfn/bad-data/issues/6#issuecomment-29161128 .

Peter Murray-Rust Reader in Molecular Informatics Unilever Centre, Dep. Of Chemistry University of Cambridge CB2 1EW, UK +44-1223-763069

petermr avatar Nov 24 '13 18:11 petermr