As part of the Data Champions initiative, we invite you to contribute to this list of instructions for converting the data you generate through experiments using techniques such as NMR spectroscopy, mass spectrometry, electron microscopy, x-ray crystallography, etc. into open data formats that can be shared easily. The aim is to save researchers time and effort in trying to find this out themselves, and to make it as easy as possible for them to share their data in an open format that is accessible to everyone.
Please send your instructions to library@ch.cam.ac.uk and the Librarian will add them to the list below.
Need help choosing a file format? Visit the Research Data Management website on Choosing formats.
Want to read, write and convert over 110 chemical file formats? Try using Open Babel, a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas.
Want to know what digital curation standards are available in your discipline? Try the Digital Curation Centre.
Want to find out how to licence your work so it can be shared with and re-used freely by other researchers? Visit choosealicence.com or the Creative Commons website.
NMR spectroscopy data from TopSpin
These instructions are for converting NMR spectroscopy data from TopSpin to a text file in the internationally accepted open data format JCAMP-DX (http://www.jcamp-dx.org).
In TopSpin
File
Save
Save data set in a JCAMP-DX file
OK
Optional: Change name and directory
Leave "Type of archive file = JCAMP DIFF/DUP"
Change "Include these data types =" to "FID+All_PROCNOS"
Leave "JCAMP version = 6.0"
OK