{"id":27169,"date":"2024-07-18T08:02:56","date_gmt":"2024-07-18T07:02:56","guid":{"rendered":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=27169"},"modified":"2024-07-29T13:36:51","modified_gmt":"2024-07-29T12:36:51","slug":"how-should-data-be-cited-in-journal-articles-a-crossref-request-for-public-comment","status":"publish","type":"post","link":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=27169","title":{"rendered":"How should data  be cited in journal articles?  A Crossref request for public comment!"},"content":{"rendered":"<div class=\"kcite-section\" kcite-section-id=\"27169\">\n<p>Metadata is something that goes on behind the scenes and is rarely of concern to either author or readers of scientific articles. Here I tell a story where it has rather greater exposure. For journals in science and chemistry, each article published has a corresponding metadata record, associated with the persistent identifier of the article and known to most as its DOI. The metadata contains information about the article such as its authors and their affiliations, the title of the article and its abstract, and is submitted to\/registered with Crossref &#8211; \u00a0an organisation set up in 1999 on behalf of publishers, libraries, research institutions and funders. Relatively recent additions to Crossref metadata are the citations included in the article, so-called <a href=\"https:\/\/opencitations.hypotheses.org\/1296\">Open Citations<\/a>. Doing so has helped to create the new area of article metrics, used by e.g. <a href=\"https:\/\/www.altmetric.com\">Altmetrics<\/a> or <a href=\"https:\/\/www.dimensions.ai\/\">Dimensions <\/a>\u00a0to help identify the impacts that science publications have. Basically, if one article is cited by another, it is making an impact. Many citations of a given article by other articles means a larger impact. Most researchers love to have a high &#8211; and of course positive &#8211; impact and perhaps for better or worse, academic careers to some extent depend on such impacts.<\/p>\n<p>With that as the background, I now move to a recent article of ours.<span id=\"cite_ITEM-27169-0\" name=\"citation\"><a href=\"#ITEM-27169-0\">[1]<\/a><\/span> The metadata record for this article can be obtained using the query:<br \/>\n<small><a href=\"https:\/\/api.crossref.org\/works\/10.1039\/D3DD00246B\/transform\/application\/vnd.crossref.unixsd+xml\">https:\/\/api.crossref.org\/works\/10.1039\/D3DD00246B\/transform\/application\/vnd.crossref.unixsd+xml<\/a><\/small> (retrieved 14\/07\/2024).<sup>\u2021<\/sup><\/p>\n<p><img decoding=\"async\" class=\"size-large wp-image-27178 aligncenter\" src=\"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/wp-content\/uploads\/2024\/07\/Screenshot-348-1024x971.jpg\" alt=\"\" width=\"540\" srcset=\"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/wp-content\/uploads\/2024\/07\/Screenshot-348-1024x971.jpg 1024w, https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/wp-content\/uploads\/2024\/07\/Screenshot-348-300x284.jpg 300w, https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/wp-content\/uploads\/2024\/07\/Screenshot-348-768x728.jpg 768w, https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/wp-content\/uploads\/2024\/07\/Screenshot-348-1536x1456.jpg 1536w, https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/wp-content\/uploads\/2024\/07\/Screenshot-348.jpg 1686w\" sizes=\"(max-width: 1024px) 100vw, 1024px\" \/><\/p>\n<p>This has 63 citations in the body of the article, with the unusual but pertinent aspect that 30 of these relate not to other articles or to web links, but to data &#8211; specifically FAIR data. We even comment on this in our conclusions &#8211; &#8220;<em>The citations noted here are included in the metadata record for the article, which is registered with Crossref, albeit with one significant current limitation in that there is currently no formal declaration of these citations as specific pointers to a FAIR data collection<\/em>.&#8221; This statement was made on the premise that the article citations would show a 1:1 match with the metadata entries (which they do, see below. \u00a0But see also<a href=\"https:\/\/retractionwatch.com\/2023\/10\/09\/how-thousands-of-invisible-citations-sneak-into-papers-and-make-for-fake-metrics\/\"> here<\/a><span id=\"cite_ITEM-27169-1\" name=\"citation\"><a href=\"#ITEM-27169-1\">[2]<\/a><\/span>).<\/p>\n<p>Before I take a look at this, I note that CrossRef metadata does not treat all citations equally. The traditional form of citation appears as such for reference 25 (there are 29 of these in total).<\/p>\n<pre><small>&lt;citation key=\"D3DD00246B\/cit25\/1\"&gt;\r\n&lt;journal_title&gt;J. Chem. Phys.&lt;\/journal_title&gt;\r\n&lt;author&gt;Scalmani&lt;\/author&gt;\r\n&lt;cYear&gt;2010&lt;\/cYear&gt;\r\n&lt;first_page&gt;114110&lt;\/first_page&gt;\r\n&lt;doi&gt;10.1063\/1.3359469&lt;\/doi&gt;\r\n&lt;\/citation&gt;<\/small><\/pre>\n<p>A variation of this is used for variations on journal articles such as preprints, where an &#8220;unstructured&#8221; component is added to the citation. This is often used as a short commentary added by the authors relating to the citation \u00a0&#8211; in this case indicating that it relates to a preprint of the article itself. The term &#8220;unstructured&#8221; also means that the commentary may not have any predictable patterns, or use any terms from a specified dictionary, \u00a0and may need the special expertise of a human to process it. In other words, &#8220;unstructured&#8221; components may not be &#8220;machine friendly&#8221;. Or that a machine may have to work quite hard to work out what to do about the commentary.<\/p>\n<pre><small>&lt;citation key=\"D3DD00246B\/cit10\/1\"&gt;\r\n&lt;volume_title&gt;ChemRxiv&lt;\/volume_title&gt;\r\n&lt;author&gt;Braddock&lt;\/author&gt;\r\n&lt;cYear&gt;2024&lt;\/cYear&gt;\r\n&lt;doi&gt;10.26434\/chemrxiv-2023-vcmcl&lt;\/doi&gt;\r\n&lt;unstructured_citation&gt;For a preprint, see, D. C.Braddock, S.Lee and H. S.Rzepa, SWERN Oxidation. \r\ntransition structure Theory is OK, ChemRxiv, 2023, preprint, 10.26434\/chemrxiv-2023-vcmcl\r\n&lt;\/unstructured_citation&gt;\r\n&lt;\/citation&gt;<\/small><\/pre>\n<p>A third variation on this is present, but this time apparently relating to data itself. \u00a0Note again the use of an &#8220;unstructured&#8221; commentary, which effectively adds the information that the citation might &#8220;apparently&#8221; relate to data. To be fair, \u00a0the volume title also does that, but this should not be its job!<\/p>\n<pre><small>&lt;citation key=\"D3DD00246B\/cit19\/1\"&gt;\r\n&lt;volume_title&gt;Imperial College Research Data Repository&lt;\/volume_title&gt;\r\n&lt;author&gt;Braddock&lt;\/author&gt;\r\n&lt;cYear&gt;2023&lt;\/cYear&gt;\r\n&lt;doi&gt;10.14469\/hpc\/13108&lt;\/doi&gt;\r\n&lt;unstructured_citation&gt;\r\nD. C.Braddock , H. S.Rzepa and S.Lee, Imperial College Research Data Repository, 2023, \r\n10.14469\/hpc\/13108&lt;\/unstructured_citation&gt;\r\n&lt;\/citation&gt;<\/small><\/pre>\n<p>Why might this be important? Well, the mantra nowadays is that information has to be processable not only by humans but also by machines undertaking learning or &#8220;artificial intelligence. Such ML\/AI is at least in part about finding predictable patterns in data, and unstructured citations imply a certain lack of predictability! A machine can &#8220;read&#8221; a journal article \u00a0and that should also be possible for the data on which inferences reported in the article are made. So that data has to be accessible in the first instance and then interoperable and re-useable in the second instance. These attributes are known as FAIR. So it would be great if the metadata for the article could indicate to a machine when associated data might be available &#8211; and even better to suggest that this data might have attributes of FAIR.<\/p>\n<p>So we now understand that there \u00a0does need to be a formal agreed way of specifically expressing a data citation in the CrossRef metadata, rather than just carrying an unstructured commentary in the citation. The good news is that such is on the way! A <a href=\"https:\/\/docs.google.com\/document\/d\/1VPXhTPMZzfvAPmTOlNp-bZf9cTLkw0dPZFTuDtDIPls\/edit#heading=h.8t5qnovmta0b\">public discussion document<\/a> requests comments by August 15th, 2024 \u00a0and introduces two \u00a0new Crossref additions to the metadata, which are interpreted below in terms of the article we are discussing.<\/p>\n<ol>\n<li>\n<pre><small>&lt;citation  <strong>type=\u201ddataset\u201d<\/strong> key=\"D3DD00246B\/cit19\/1\"&gt;\r\n&lt;volume_title&gt;Imperial College Research Data Repository&lt;\/volume_title&gt;\r\n&lt;author&gt;Braddock&lt;\/author&gt;\r\n&lt;cYear&gt;2023&lt;\/cYear&gt;\r\n&lt;doi&gt;10.14469\/hpc\/13108&lt;\/doi&gt;\r\n&lt;\/citation&gt;<\/small><\/pre>\n<\/li>\n<\/ol>\n<p>A more formal statement is also now added, and I quote Crossref&#8217;s reasons for its inclusion &#8220;<em>we\u2019d like to support several types of free-text statements in our metadata records as we\u2019ve had feedback that they can be useful for downstream metadata users who are able to parse out and refine chunks of text in ways that may be useful. The statements are also useful for re-use in some situations<\/em>.&#8221; In some ways, it replaces the unstructured citation from the example above, but now using a controlled dictionary term to specifically relate to <strong>data<\/strong>.<\/p>\n<ol start=\"2\">\n<li>\n<pre><small>&lt;statement <strong>type=\u201ddata availability\u201d<\/strong>&gt;Data Availability and Discovery Statement&lt;\/statement&gt;<\/small><\/pre>\n<\/li>\n<\/ol>\n<p>Let us now see how all this is handled for the article we are discussing.<span id=\"cite_ITEM-27169-0\" name=\"citation\"><a href=\"#ITEM-27169-0\">[1]<\/a><\/span><\/p>\n<ul>\n<li>The data itself, found as a collection with its own metadata record<span id=\"cite_ITEM-27169-2\" name=\"citation\"><a href=\"#ITEM-27169-2\">[3]<\/a><\/span> can and does <a href=\"https:\/\/data.datacite.org\/application\/vnd.datacite.datacite+xml\/10.14469\/hpc\/13058\">cite the article<\/a><span id=\"cite_ITEM-27169-0\" name=\"citation\"><a href=\"#ITEM-27169-0\">[1]<\/a><\/span>.<\/li>\n<li>The Crossref metadata record for the article as of <strong>17.07.2024<\/strong> has 38 entries which include an &lt;unstructured_citation&gt;, including 30 relating to data (which are currently inferred by a human).<\/li>\n<li>If the metadata changes noted above are implemented, the 30 data citations will be clearly identified as such, as in the example shown in item 1 above, and no human inference would be needed.<\/li>\n<\/ul>\n<p>The CrossRef <a href=\"https:\/\/docs.google.com\/document\/d\/1VPXhTPMZzfvAPmTOlNp-bZf9cTLkw0dPZFTuDtDIPls\/edit#heading=h.8t5qnovmta0b\">public discussion document<\/a> will remain available for another four weeks or so &#8211; meanwhile, public comments are requested! Once these enhancements have been implemented, we hope that the article metadata record we are analysing here can in turn be updated<sup>\u2021<\/sup> to reflect the FAIR data richness of the article. And then perhaps <a href=\"https:\/\/www.altmetric.com\">Altmetrics<\/a> or \u00a0<a href=\"https:\/\/www.dimensions.ai\/\">Dimensions <\/a>\u00a0can start producing metrics relating to the impact of cited data. Watch this space!<\/p>\n<hr \/>\n<p><sup>\u2021<\/sup>One difference between the article itself and its metadata record is that the former does not change {unless a corrigendum is issued} &#8211; it is a so-called <b>Version-of-Record<\/b> or <strong>VOR<\/strong>, whereas the metadata record itself can be responsibly updated when deemed necessary. So it is important to note the date associated with any given version of a metadata record.<\/p>\n<h2>References<\/h2>\n    <ol class=\"kcite-bibliography csl-bib-body\"><li id=\"ITEM-27169-0\">D.C. Braddock, S. Lee, and H.S. Rzepa, \"Modelling kinetic isotope effects for Swern oxidation using DFT-based transition state theory\", <i>Digital Discovery<\/i>, vol. 3, pp. 1496-1508, 2024. <a href=\"https:\/\/doi.org\/10.1039\/d3dd00246b\">https:\/\/doi.org\/10.1039\/d3dd00246b<\/a>\n\n<\/li>\n<li id=\"ITEM-27169-1\">L. Besan\u00e7on, G. Cabanac, C. Labb\u00e9, and A. Magazinov, \"Sneaked references: Cooked reference metadata inflate citation counts\", <i>arXiv<\/i>, 2023. <a href=\"https:\/\/doi.org\/10.48550\/arxiv.2310.02192\">https:\/\/doi.org\/10.48550\/arxiv.2310.02192<\/a>\n\n<\/li>\n<li id=\"ITEM-27169-2\">H. Rzepa, \"Modelling kinetic isotope effects for SWERN Oxidation. DFT-based transition structure Theory is OK.\", 2023. <a href=\"https:\/\/doi.org\/10.14469\/hpc\/13058\">https:\/\/doi.org\/10.14469\/hpc\/13058<\/a>\n\n<\/li>\n<\/ol>\n\n<\/div> <!-- kcite-section 27169 -->","protected":false},"excerpt":{"rendered":"<p>Metadata is something that goes on behind the scenes and is rarely of concern to either author or readers of scientific articles. Here I tell a story where it has rather greater exposure. For journals in science and chemistry, each article published has a corresponding metadata record, associated with the persistent identifier of the article [&hellip;]<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"jetpack_post_was_ever_published":false,"_jetpack_newsletter_access":"","_jetpack_dont_email_post_to_subs":false,"_jetpack_newsletter_tier_id":0,"_jetpack_memberships_contains_paywalled_content":false,"_jetpack_memberships_contains_paid_content":false,"activitypub_content_warning":"","activitypub_content_visibility":"","activitypub_max_image_attachments":5,"activitypub_interaction_policy_quote":"anyone","activitypub_status":"","footnotes":"","jetpack_publicize_message":"","jetpack_publicize_feature_enabled":true,"jetpack_social_post_already_shared":true,"jetpack_social_options":{"image_generator_settings":{"template":"highway","default_image_id":0,"font":"","enabled":false},"version":2}},"categories":[4],"tags":[],"ppma_author":[2661],"class_list":["post-27169","post","type-post","status-publish","format-standard","hentry","category-interesting-chemistry"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v27.5 - https:\/\/yoast.com\/product\/yoast-seo-wordpress\/ -->\n<title>How should data be cited in journal articles? A Crossref request for public comment! - Henry Rzepa&#039;s Blog<\/title>\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, max-video-preview:-1\" \/>\n<link rel=\"canonical\" href=\"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=27169\" \/>\n<meta property=\"og:locale\" content=\"en_GB\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"How should data be cited in journal articles? A Crossref request for public comment! - Henry Rzepa&#039;s Blog\" \/>\n<meta property=\"og:description\" content=\"Metadata is something that goes on behind the scenes and is rarely of concern to either author or readers of scientific articles. Here I tell a story where it has rather greater exposure. 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If errors in the original are later identified, a\u2026","rel":"","context":"In &quot;Chemical IT&quot;","block_context":{"text":"Chemical IT","link":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?cat=2"},"img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":20468,"url":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=20468","url_meta":{"origin":27169,"position":1},"title":"&#8220;Richer metadata makes content more useful&#8221;","author":"Henry Rzepa","date":"February 16, 2019","format":false,"excerpt":"The title of this post comes from the site www.crossref.org\/members\/prep\/ Here you can explore how your favourite publisher of scientific articles exposes metadata for their journal. Firstly, a reminder that when an article is published, the publisher collects information about the article (the \"metadata\") and registers this information with CrossRef\u2026","rel":"","context":"In &quot;Interesting chemistry&quot;","block_context":{"text":"Interesting chemistry","link":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?cat=4"},"img":{"alt_text":"","src":"https:\/\/i0.wp.com\/www.ch.ic.ac.uk\/rzepa\/blog\/wp-content\/uploads\/2019\/02\/RSC-292-1024x1016.png?resize=350%2C200&ssl=1","width":350,"height":200},"classes":[]},{"id":25918,"url":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=25918","url_meta":{"origin":27169,"position":2},"title":"A ROR Persistent Identifier for the WATOC organisation &#8211; helping to make scientific connections.","author":"Henry Rzepa","date":"March 9, 2023","format":false,"excerpt":"Science frequently works by people making connections between related (or even apparently unrelated) concepts or data. There are many ways of helping people make these connections - attending a conference or seminar, searching journals for published articles and nowadays also searching for data are just a few examples. For about\u2026","rel":"","context":"In &quot;WATOC reports&quot;","block_context":{"text":"WATOC reports","link":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?cat=2238"},"img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":21960,"url":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=21960","url_meta":{"origin":27169,"position":3},"title":"The Persistent Identifier ecosystem expands &#8211; to instruments!","author":"Henry Rzepa","date":"March 21, 2020","format":false,"excerpt":"A PID or persistent identifier has been in common use in scientific publishing for around 20 years now. It was introduced as a DOI (Digital Object Identifier), and the digital object in this case was the journal article. From 2000 onwards, DOIs started appearing for most journal articles, journals having\u2026","rel":"","context":"In &quot;Chemical IT&quot;","block_context":{"text":"Chemical IT","link":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?cat=2"},"img":{"alt_text":"","src":"https:\/\/i0.wp.com\/www.ch.ic.ac.uk\/rzepa\/blog\/wp-content\/uploads\/2020\/03\/ecosystem-1024x937.jpg?resize=350%2C200&ssl=1","width":350,"height":200},"classes":[]},{"id":28367,"url":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=28367","url_meta":{"origin":27169,"position":4},"title":"Referencing and citing a science-based blog post.","author":"Henry Rzepa","date":"April 8, 2025","format":false,"excerpt":"Back in early 2012, I pondered about the relationships between a science-based blog post and a science-based journal article. This was in part induced by my discovering a blog plugin called Kcite, which allow a journal articles to be appended to the blog in the form of a numbered reference\u2026","rel":"","context":"In &quot;Chemical IT&quot;","block_context":{"text":"Chemical IT","link":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?cat=2"},"img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":16391,"url":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=16391","url_meta":{"origin":27169,"position":5},"title":"Data-free research data management? Not an oxymoron.","author":"Henry Rzepa","date":"May 24, 2016","format":false,"excerpt":"I occasionally post about \"RDM\" (research data management), an activity that has recently become a formalised\u00a0essential part of the research processes. 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