How do I add a crystal structure or spectrum to a record?

To add data to an existing record you only need to be a registered ChemSpider user (and logged into your account). When you are on the page for the record that you want to add data to (Please check that the structure in the record matches the compound you have data for exactly). When you are logged in you will see the Add Data menu.

Adding a CIF

When you click on the Add cif link, a new page will open presenting you with 3 fields:

• CIF File (required) – Choose the CIF file you wish to upload
• Associated Hyperlink (optional) – Provide a link back to your publication or database so users can cite you.
• Comments (optional) – Any information you might want to provide about yourself, the experiment, or a related publication.

You can optionally tick the box at the bottom to make your CIF file available as open data. This will allow others to download the file from the record.

Don’t forget to click Add. When the page refreshes, you should see your CIF in the Crystal CIFs tab on the record.

Adding Spectra

When you click on the Add Spectrum link, a new page will open presenting you with 4 fields:

• Spectrum Type (required) – Choose the type of spectrum you are uploading from the drop-down menu
• Spectrum File (required) – Choose the spectrum file you wish to upload
• You can upload a static image (.jpg, .png, .pdf)
• Alteratively, by uploading a JCAMP-DX (.jdx) file, your spectrum will be interactive
• Associated Hyperlink (optional) – Provide a link back to your publication or database so users can cite you.
• Comments (optional) – Any information you might want to provide about yourself, the experiment, or a related publication

You can optionally tick the box at the bottom to make your JCAMP file available as open data. This will allow others to download the file from the record/

Don’t forget to click Add. When the page refreshes, you should see your spectrum in the spectra tab on the record.