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Datasets will be labeled as DS#-XXX-{1,2}, e.g. DS1-CCD-2, which denotes dataset 1, taken from the CCD database, with the metal centers of secondary interest. The first number and the middle three letter code are always paired to avoid confusion between similar database abbreviations, e.g. g CCD vs COD vs CSD. The last number denotes inclusion of metal centers of primary and secondary interest:
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