• Image of Ian Bruno

    An ACS Symposium - One Million Crystal Structures: A Wealth of Structural Chemistry Knowledge

    In recognition of the rapidly approaching milestone of one million crystal structures shared through the Cambridge Structural Database (CSD), we are involved in the organization of a symposium at the Fall 2019 ACS meeting in San Diego (@AmerChemSociety) that aims to highlight the insights that can be derived from a collection of data such as the CSD. With the abstract deadline for the symposium fast approaching (18th March) we thought it was the ideal time to tell you a bit more about the CSD and the symposium and encourage you to consider contributing to this session and helping us to mark #CSD1Million.

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  • Image of Stephen Holgate

    CSD Data Curation – The Human Touch

    Rather than tell you how long I have worked at CCDC as a Scientific Editor in the Database Group, perhaps I will instead measure the time in the growth of the Cambridge Structural Database (CSD) and tell you that when I started working here, the CSD had just passed the 180,000 mark. As I’m sure you know, today, more than 800,000 structures later, we are very close to entering the 1 millionth structure into the CSD.

    But what do we mean when we say ‘entering’ data into the CSD, a process we refer to as data curation?

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  • Image of Suzanna Ward

    African adventures

    It was with much excitement that Amy Sarjeant and I headed off to the second Pan African Conference on Crystallography (PCCr2) in Ghana at the end of February. This wasn’t our first visit to the African continent on behalf of the CCDC and each trip has been a memorable and rewarding experience.

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  • Image of Suzanna Ward

    The journey to one million crystal structures continues...

    Later this year the world of structural chemistry will reach a tremendous milestone, the sharing of one million organic and metal-organic structures through the Cambridge Structural Database (CSD). The CSD was one of the first numerical scientific databases to be established and today enables scientists and educators in over 70 countries to learn from the data.

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  • Image of Caroline Davies

    Celebrating IYPT2019

    2019 has been proclaimed the “International Year of the Periodic Table of Chemical Elements (#IYPT2019) by the United Nations General Assembly and UNESCO to celebrate the 150th anniversary of the existence of the Periodic Table.  The Cambridge Crystallographic Data Centre (CCDC) has partnered with the British Crystallographic Association (BCA) to create the “IYPT in crystals” project (#iyptcrystals).  You can find out more about this project here

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  • Image of Amy Sarjeant

    4th Annual #CSD3DPrint Contest Winner Announced

    I think it’s safe to say that 2018 marked our best #CSD3DPrint contest ever.  We had a record 8 entries involving some fairly impressive printing and photography.  The winner is chosen from all entries submitted through Twitter with the hashtag #CSD3DPrint using a complex formula combining the number of social media engagements (likes and retweets) and scores from our expert panel of judges.  This year’s winner will receive a $50 gift card to Shapeways.

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  • Image of Peter Wood

    2019 CSD Release: A New Beginning

    This release marks the beginning of a new chapter in the history of the Cambridge Structural Database (CSD). We have just completed a multi-year software development project to replace the search engine at the heart of our well-known search program ConQuest. This not only brings into alignment the search functionality behind ConQuest, Mercury, WebCSD and the CSD Python API, but it enables much more flexible, dynamic and advanced searching of the CSD in the future.

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  • Image of Clare Tovee

    Does publication source affect structure quality?

    In recent years the world of scientific publishing has seen an increased interest in the data behind scientific articles and in publishing this data, sometimes without the article at all.  This can be seen in the rise of data journals and databases.  For many years the Cambridge Crystallographic Data Centre (CCDC) has offered a way to share crystal structure data without an associated scientific paper, so called CSD Communication (CSD Comms).  This allows authors to get credit for their work, which would gain them nothing sitting in a drawer or on a hard drive.  However, one of the most common concerns we hear about CSD Communications is regarding the quality of these structures that have not undergone peer-review and how we ensure the continued integrity of the Cambridge Structural Database (CSD).  With this in mind, we have used three methods to investigate potential differences in the data quality between structures from different journals and structures without traditional peer‑review.  We selected a range of high impact journals covering science, general chemistry and crystallography, as well as a data journal along with the CCDC’s own CSD Communications.

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  • Image of Peter Wood

    The latest WebCSD improvements driven by you!

    As we described earlier in the year, alongside our Access Structures/WebCSD system we launched a WebCSD Ideas voting page where you can log in and identify which features you’d most like to see added or improved in the interface. We're continuing to prioritise improvements to WebCSD directly driven by your input and feedback in this voting page and in person when we meet you at events. We launched the first of these directly user-driven improvements (full screen 3D viewer) earlier in 2018 and two more are now available in WebCSD (formula searching and structure search templates).

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  • Image of Seth Wiggin

    Countdown to 1 million

    The recent August update to the Cambridge Structural Database (CSD) brought the total number of entries in the database to over 950,000, meaning the next big milestone will be 1 million. This is a huge achievement of the crystallographic community, and in the months leading up to this milestone we’ll be demonstrating the value that can be gained from this crystal data and looking to what can be accomplished in the future.

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