Henry Rzepa's Blog Chemistry with a twist

April 18, 2019

April 12, 2019

A search of some major chemistry publishers for FAIR data records.

In recent years, findable data has become ever more important (the F in FAIR). Here I test that F using the DataCite search service.

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February 16, 2019

November 4, 2018

Open Access journal publishing debates – the elephant in the room?

For perhaps ten years now, the future of scientific publishing has been hotly debated. The traditional models are often thought to be badly broken, although convergence to a consensus of what a better model should be is not apparently close. But to my mind, much of this debate seems to miss one important point, how to publish data.

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May 6, 2018

Examples please of FAIR (data); good and bad.

The site fairsharing.org is a repository of information about FAIR (Findable, Accessible, Interoperable and Reusable) objects such as research data.

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January 23, 2018

PIDapalooza 2018. A conference like no other!

Another occasional conference report (day 1). So why is one about “persistent identifiers” important, and particularly to the chemistry domain?

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December 7, 2017

FAIR data ⇌ Raw data.

FAIR data is increasingly accepted as a description of what research data should aspire to; Findable, Accessible, Inter-operable and Re-usable, with Context added by rich metadata (and also that it should be Open). But there are two sides to data, one of which is the raw data emerging from say an instrument or software simulations and the other in which some kind of model is applied to produce semi- or even fully processed/interpreted data. Here I illustrate a new example of how both kinds of data can be made to co-exist.

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April 28, 2017

The challenges in curating research data: one case study.

Research data (and its management) is rapidly emerging as a focal point for the development of research dissemination practices. An important aspect of ensuring that such data remains fit for purpose is identifying what curation activities need to be associated with it. Here I revisit one particular case study associated with the molecular structure of a product identified from a photolysis reaction[1] and the curation of the crystallographic data associated with this study.

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References

  1. Y. Legrand, A. van der Lee, and M. Barboiu, "Single-Crystal X-ray Structure of 1,3-Dimethylcyclobutadiene by Confinement in a Crystalline Matrix", Science, vol. 329, pp. 299-302, 2010. http://dx.doi.org/10.1126/science.1188002

August 5, 2015

Single Figure (nano)publications, reddit AMAs and other new approaches to research reporting

I recently received two emails each with a subject line new approaches to research reporting. The traditional 350 year-old model of the (scientific) journal is undergoing upheavals at the moment with the introduction of APCs (article processing charges), a refereeing crisis and much more. Some argue that brand new thinking is now required. Here are two such innovations (and I leave you to judge whether that last word should have an appended ?).

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June 20, 2015

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