Skip to content
Publicly Available Published by De Gruyter October 3, 2012

JCAMP-DX for circular dichroism spectra and metadata (IUPAC Recommendations 2012)

  • Benjamin Woollett , Daniel Klose , Richard Cammack , Robert W. Janes and B. A. Wallace

Circular dichroism (CD) spectroscopy is a widely used technique for the characterisation of proteins. A number of CD instruments are currently on the market, and there are more than a dozen synchrotron radiation circular dichroism (SRCD) beamlines in operation worldwide. All produce different output formats and contents. In order for users of CD and SRCD data to be able simply to compare and contrast data and the associated recorded or unrecorded metadata, it is essential to have a common data format. For this reason, the JCAMP-DX-CD format for CD spectroscopy has been developed, based on extensive consultations with users and senior representatives of all the instrument manufacturers and beamlines, and under the auspices of IUPAC, based on the Joint Committee on Atomic and Physical Data Exchange protocols. The availability of a common format is also important for deposition to, and access from, the Protein Circular Dichroism Data Bank, the public repository for CD and SRCD data and metadata. The JCAMP-DX-CD format can be read by standard JCAMP programs such as JSpecView. We have also created a series of parsers, available at the DichroJCAMP web site (, which will enable the conversion between instrument and beamline formats and the JCAMP-DX-CD format.

Project Year: 2010, Project Code: 2010-033-2-024


1a 10.1366/0003702884428734, R. S. McDonald, P. A. Wilks Jr. Appl. Spectrosc.42, 151 (1988).Search in Google Scholar

1b 10.1351/pac199163121781, J. G. Grasselli. Pure Appl. Chem.63, 1781 (1991).Search in Google Scholar

2 10.1366/0003702914337894, J. Gasteiger, B. M. P. Hendriks, P. Hoever, C. Jochum, H. Somberg. Appl. Spectrosc.45, 4 (1991).Search in Google Scholar

3a 10.1366/0003702934067874, A. N. Davies, P. Lampen. Appl. Spectrosc.47, 1093 (1993).Search in Google Scholar

3b 10.1351/pac200173111749, A. N. Davies, J. Lambert, R. J. Lancashire, P. Lampen, W. Conover, M. Frey, M. Grzonka, E. Williams, D. Meinhart. Pure Appl. Chem.73, 1749 (2001).Search in Google Scholar

4 10.1366/0003702944027840, P. Lampen, H. Hillig, A. N. Davies, M. Linscheid. Appl. Spectrosc.48, 1545 (1994).Search in Google Scholar

5 10.1351/pac200173111765, J. I. Baumbach, A. N. Davies, P. Lampen, H. Schmidt. Pure Appl. Chem.73, 1765 (2001).Search in Google Scholar

6 10.1351/pac200678030613, R. Cammack, Y. Fann, R. J. Lancashire, J. P. Maher, P. S. Mcintyre, R. Morse. Pure Appl. Chem.78, 613 (2006).Search in Google Scholar

7 10.1107/S0909049500009262, B. A. Wallace. J. Synch. Rad.7, 289 (2000).Search in Google Scholar

8 10.1017/S003358351000003X, B. A. Wallace. Q. Rev. Biophys.42, 317 (2009).Search in Google Scholar

9 10.1016/j.nima.2010.10.135, B. A. Wallace, K. Gekko, S. V. Hoffmann, Y.-H. Lin, J. C. Sutherland, Y. Tao, F. Wien, R. W. Janes. Nucl. Inst. Meth. Phys. Res., Sect. A649, 177 (2011).Search in Google Scholar

10 10.1016/j.str.2010.08.008, L. Whitmore, B. Woollett, A. J. Miles, R. W. Janes, B. A. Wallace. Structure18, 1267 (2010).Search in Google Scholar

11 10.1093/nar/gkq1026, L. Whitmore, B. Woollett, A. J. Miles, D. P. Klose, R. W. Janes, B. A. Wallace. Nucleic Acids Res.39, D480 (2011).Search in Google Scholar

12 10.1002/bip.20853, L. Whitmore, B. A. Wallace. Biopolymers89, 392 (2008).Search in Google Scholar

13 10.1186/1752-153X-1-31, R. J. Lancashire. Chem. Central J.1, 31 (2007).Search in Google Scholar

Online erschienen: 2012-10-3
Erschienen im Druck: 2012-10-3

© 2013 Walter de Gruyter GmbH, Berlin/Boston

Downloaded on 5.2.2023 from
Scroll Up Arrow