ecrystalsAs we expand the presence of analytical data on ChemSpider through the addition of various forms of spectral data it made sense to start work on expanding the collection of CIFS available on ChemSpider also. At present we have NMR spectra related to ChemSpider SyntheticPages waiting to go online and a large number of Raman spectra waiting to be processed and deposited. For now however our efforts are focused on the deposition of CIFS associated with the eCrystals platform at Southampton. This is manual work unfortunately as we need to confirm that the CIF itself matches the molfile that is online. When there are multiple components in a unit cell we need to ensure that we deposit against the correct structure etc. We should have a few hundred CIFs deposited in the next few weeks.

Stumble it!

One Response to “eCrystals CIFs Migrating to ChemSpider”

  1. will says:

    ecrystals seems to have tapered off a bit in the last year, hopefully this will give it a boost as I find it very navigable/usable.

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