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Blog Database Group

  1. CSD Data Curation – the challenge of a million structures

    Seth Wiggin – Fri, 15 Mar 2019 08:47:00 GMT

    In a recent blog - CSD Data Curation - The Human Touch -  we’ve described the work that goes on when new structures are added to the Cambridge Structural Database (CSD). However, It’s important to realise that this isn’t the end of the story -  as we get close to adding the one millionth structure to the CSD, it seems like an appropriate time to describe some of the processes we undertake at the CCDC to ensure that the data we make available to scientists continues to empower and inform their research long after it’s initial deposition.

    Continue reading…

  2. Inspiring women in crystallography

    Suzanna Ward – Fri, 08 Mar 2019 12:18:00 GMT

    Today is International Women’s Day (IWD - #InternationalWomensDay), celebrated each year on the 8th of March, so what better day to recognise some of the many inspiring women in the field of crystallography.

    The beginnings of International Women’s Day started in 1909/1910 but it wasn’t until 1975 that it was adopted by the United Nations. Today IWD is celebrated in many countries worldwide and is even a public holiday for some. IWD can mean different things to different people, for some it is a chance to call for change and improve gender equality, for others it is the perfect opportunity to highlight the achievements of women in their fields and try to inspire a new generation.

    Continue reading…

  3. CSD Data Curation – The Human Touch

    Stephen Holgate – Fri, 01 Mar 2019 08:50:00 GMT

    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?

    Continue reading…

  4. African adventures

    Suzanna Ward – Thu, 21 Feb 2019 16:13:00 GMT

    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.

    Continue reading…

  5. The journey to one million crystal structures continues...

    Suzanna Ward – Thu, 14 Feb 2019 10:08:00 GMT

    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.

    Continue reading…

  6. Celebrating IYPT2019

    Caroline Davies – Thu, 07 Feb 2019 15:26:00 GMT

    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. 

    Continue reading…

  7. Promoting Data Sharing

    Eric Rogers – Thu, 02 Aug 2018 10:18:00 GMT

    You may not realise it, but this is an exciting time for crystallographic data sharing and publishing! Inspired by the changes of recent years in research and scholarly communications, the scientific community is currently transforming how research data is stored, shared and published, with the objective of making all data more openly accessible. This is most definitely the case for crystallographic data, which here at the Cambridge Crystallographic Data Centre (CCDC), we work to make freely accessible to the scientific community via our Access Structures service. In this blog, I will outline the new frameworks and initiatives shaping the future landscape of open scientific research data, which will no doubt influence how crystallographic data will be managed in the future.

    Continue reading…

  8. A new data deposition process is good news for crystallographers

    Suzanna Ward – Mon, 23 Jun 2014 14:07:00 GMT
    As announced in our latest News Item, we are delighted by the launch of our next generation of CCDC Deposition services. Some of our depositors may have used our web-service before but this new service will make it even easier for chemists to deposit their data at the CCDC.
     
    Details of the enhancements offered by the new process are described in the News Item and are accessed from our website home page. I urge you to take a look. The new process has been thoroughly tested by a panel of some of our regular depositors, and we have benefitted greatly from their feedback and observations. I hope you’ll agree that the new process is a great step forward.

    Continue reading…

  9. Who wants to be a millionaire? The CCDC issues number CCDC 900000.

    Seth Wiggin – Fri, 19 Oct 2012 13:00:00 GMT

    In the last week or so we passed another milestone at the CCDC in the building of the Cambridge Structural Database (CSD), by issuing the reference number CCDC 900000. This type of reference number is probably familiar to many people from scientific papers describing X-ray data, and corresponds to a set of X-ray experimental data. This number is issued when data is first sent to us, and stays with the dataset even if undergoes revisions before or during the publishing process. It’s also worth mentioning that structures in the database are not normally referred to by the CCDC number at all, but rather using the six letter CCDC refcode. We’ll talk about refcodes in more detail in an upcoming blog!

    Continue reading…

  10. To Infinity and Beyond? The CSD reaches over 600,000 structures

    Seth Wiggin – Fri, 17 Feb 2012 10:15:00 GMT

    When I first joined the CCDC almost five years ago the CSD had just passed the 420,000 mark. The half millionth structural determination was included in late November 2009, and the 600,000 milestone was reached just last month: a little over two years later. The growth of the CSD since 1972 is recorded on the website, and shows a continual and ever-increasing rate of growth. This rate of increase has actually been used by researchers to show the development of specific areas of study, I recently attended a talk where it was shown the number of metal-organic frameworks (MOFs) deposited in the CSD was doubling at approximately twice the rate of the CSD as a whole.

    Continue reading…

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