Crystallography open database highscore

  • How do I find my CIF file?

    To import the cif file in Xpert Highscore follow the following steps:

    1 Open the Xpert Highscore software.
    1. Go to "File"3 Then click to "Insert"4 Select the cif file from your PC
    2. Finally, select the space group

  • How do I open a CIF file in crystal structure?

    The Crystallography Open Database (COD) is a database of crystal structures.
    Unlike similar crystallography databases, the database is entirely open-access, with registered users able to contribute published and unpublished structures of small molecules and small to medium-sized unit cell crystals to the database..

  • What is crystallography open database an open-access collection of crystal structures?

    The Crystallography Open Database (COD), which is a project that aims to gather all available inorganic, metal-organic and small organic molecule structural data in one database, is described.
    The database adopts an open-access model..

  • What is the OCD open crystallography database?

    CIF files for many compounds can be downloaded from the American Mineralogist Crystal Structure Database (AMSD), or from the Crystallography Open Database (COD), for instance.
    A file in the CIF format may contain the positions of atoms, as well as the symmetry group that the compound belongs to..

  • To import the cif file in Xpert Highscore follow the following steps:

    1 Open the Xpert Highscore software.
    1. Go to "File"3 Then click to "Insert"4 Select the cif file from your PC
    2. Finally, select the space group
  • Crystal structure data is often stored in a CIF file.
    This is a text file that contains the asymmetric unit of the crystal, the symmetries of the space group, and a reference to the source where the data was first published.
    It is important to check the publication to see the conditions used during the experiment.
March 2023: Malvern Panalytical publishes a new release of their free, COD-derived search-match database. The new COD database file is meant to be used with all 

How many entries are there in a crystallographic database?

Currently, the database includes more than 376 000 entries describing structures of small molecules and small-to-medium-sized unit-cell materials as published in IUCr journals and other major crystallographic and peer-reviewed journals, as well as contributions by crystallographers from major laboratories

What is a cod crystallographic database?

The COD crystallographic database provides tools for selecting an appropriate subset of data by many structural parameters

The selection is powered by the SQL database, which is accessible by several protocols

Each structure in the COD crystallographic database is described as an entry in the SQL database

What is a crystallography deposition software?

The deposition software performs rigorous checks of syntax and semantics

( a) The website and search interface of the Crystallography Open Database (COD) permits searches of crystallographic data by a range of parameters and unrestricted retrieval of the found data


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