Illegible spectrum

[petermr]

I published this on my blog about 6 years ago. I think this was from a ***** ******** ** Chemistry journal but hold fire till I check.

This was, of course , digital data in the spectrometer (perhaps 2^16 points)

[rufuspollock]

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

[petermr]

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 notifications@github.comwrote:

@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//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

[rufuspollock]

@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?

[petermr]

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 notifications@github.comwrote:

@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//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