BADC comments on the utility of JCAMP-DX
This format is only suitable for spectra from spectroscopy experiments.
Any spectroscopy group producing data is likely to create data files via proprietary software from the spectrometer manufactures. As an internationally accepted format the software will usually have an option to save the data in JCAMP-DX.
There are general visualization tools available for the format. It is also relatively easy to write code to read and process the data. If the data usage is within the spectroscopic community this is a good format for users.
Metadata conventions are built into the format. However most information is optional. Recommend reading the standard metadata elements and inserting all possible. It is also possible to encode other producer defined metadata.
We recommend using the single data block and simple packing because more tools are likely to cope reading the simpler data.
|
Name |
JCAMP-DX |
|
Long Name |
The joint Committee on Atomic and Molecular Physical data – Data Exchange format |
|
Version |
Various. (has a long history) |
|
Format Identifiers |
PUID: |
|
Description |
JCAMP-DX is a standard file form for exchange of infrared spectra and related chemical and physical information between spectrometer data systems of different manufacture. All data are stored as labeled fields of variable length using printable ASCII characters. |
|
Byte encoding |
ASCII |
|
Developed by |
Academic chemistry community |
|
Supported by |
Academic chemistry community (see http://www.jcamp-dx.org/) |
|
File extensions |
.dx or .jdx |
|
File signatures |
Contains line beginning ##TITLE= |
JspecView is an open Java read and visualisation tool (http://wwwchem.uwimona.edu.jm/spectra/JSpecView/)
A JCAMP-DX reference implementation is available from source forge (http://sourceforge.net/projects/jcamp-dx/).
Proprietary software to acquire data from the spectrometer often has the facility to save spectra as JCAMP-DX files.
http://www.jcamp-dx.org/ JCAMP-DX site
JCAMP-DX: A Standard Form for the
Exchange of Infrared Spectra in Computer Readable Form
ROBERT S. McDONALD and PAUL A. WILKS,
JR.
Appl. Spectrosc. 42(1), pp151-162, 1988
JCAMP-CS: A Standard Exchange Format for
Chemical Structure Information in Computer-Readable Form
J. GASTEIGER, B.M P. HENDRIKS, P. HOEVER, C.
JOCHUM and H. SOMBERG
Appl. Spectrosc. 5(1), pp4-11,1991
JCAMP-DX for NMR
ANTONY
N. DAVIES and PETER LAMPEN
Appl. Spectrosc. 47(8), pp1093-1099,
1993
JCAMP-DX for Mass Spectrometry
PETER LAMPEN, HEINRICH HILLIG, ANTONY N.
DAVIES, and MICHAEL LINSCHEID
Appl. Spectrosc. 48(12),
pp1545-1552, 1994
An Extension to the JCAMP-DX Standard
File Format, JCAMP-DX V.5.01
(IUPAC Recommendations 1999)
PETER LAMPEN, JÖRG
LAMBERT, ROBERT J. LANCASHIRE, ROBERT S. McDONALD, PETER S. McINTYRE,
DOUGLAS N. RUTLEDGE, THORSTEN FRÖHLICH and ANTONY N. DAVIES
Pure
Appl. Chem., 71(8), pp1549-1556, 1999.
JCAMP-DX - A Standard Format for the
Exchange of Ion Mobility Spectrometry Data
(IUPAC Recommendations
2001)
JÖRG INGO BAUMBACH,
ANTONY N.DAVIES, PETER LAMPEN, and
HARTWIG SCHMIDT
Pure Appl.
Chem., 73(11), pp1765–1782, 2001.
GUIDELINES FOR THE REPRESENTATION OF
PULSE SEQUENCES FOR SOLUTION-STATE NUCLEAR MAGNETIC RESONANCE
SPECTROMETRY
(IUPAC Recommendations 2001)
ANTONY
N. DAVIES, JÖRG LAMBERT, ROBERT J.LANCASHIRE, and PETER LAMPEN
with WOODY CONOVER, MICHAEL FREY, MICHAEL GRZONKA, EVAN WILLIAMS, and
DOUGLAS MEINHART
Pure Appl. Chem., 73(11) pp1749–1764, 2001.