![]() ![]() Following this decision, the Java source code for the JSpecView project was made available on the Sourceforge web site in March 2006 as Open Source. This new code was again licensed to MDL, but in 2006 they agreed to relinquish all rights to the code. In 2001, a major rewrite of the JCAMP-DX routines used in Chime was initiated using JAVA instead of C++. The source code was never made Open Source. Up until 2005, when the development of our JCAMP-DX routines in Chime ceased, it was estimated that over 2 million copies of the free version were downloaded from the MDL web site. This was based on code developed at UWI, Jamaica and licensed by them. One of the first readily available viewers for JCAMP-DX data files was released in 1996 by MDL (now Symyx) as part of their Windows version of the plug-in Chime. These protocols were written without reference to any particular software package and IUPAC has not released code to either read or write JCAMP-DX data files. They utilize encoding routines that, depending on the software, make it possible to produce data exchange files with no loss of precision, and the compression algorithms can often yield files that are smaller than the original binary (and often proprietary) spectrometer files, again with no loss of precision in the data. ![]() The JCAMP-DX protocols (including drafts of forthcoming protocols) are available on the JCAMP-DX web site and are based on standard ASCII to ensure maximum compatibility and longevity of the data. In particular, the publication and successful implementation of the JCAMP-DX (Joint Committee on Atomic and Molecular Spectroscopy - Data Exchange) protocols have made it possible to transfer and archive infrared and Raman spectroscopy, nuclear magnetic resonance spectroscopy, mass spectrometry, ion mobility spectroscopy and electron magnetic resonance spectroscopy data sets. The introduction of open standards by IUPAC (International Union of Pure and Applied Chemistry) and ASTM International (originally known as the American Society for Testing and Materials) has greatly enhanced the ability to transfer data between spectroscopic instruments of different origin, regardless of their application software and operating systems. A tutorial video showing how to examine NMR spectra using JSpecView has appeared on YouTube and was formatted for replay on iPods and it has been incorporated into a chemistry search engine. Whilst the current user base is still small, there are a number of sites that already feature the applet. This is conveniently handled using calls from JavaScript and the feedback results can be used to initiate links to other applets like Jmol, to generate a peak table, or even to load audio clips providing helpful hints. As an aid for the interpretation of spectra it was found useful to offer routines such that if any part of the spectral display is clicked, that region can be highlighted and the (x, y) coordinates returned. JSpecView has the ability to display the full range of JCAMP-DX formats and protocols and to display multiple spectra simultaneously. The scope was then broadened to take advantage of the XML initiative in Chemistry and routines to read and write AnIML and CMLspect documents were added. The development of the Java source code commenced under license in 2001 and was released as Open Source in March 2006. The JSpecView Open Source project began with the intention of providing both a teaching and research tool for the display of JCAMP-DX spectra. ![]() This is an Open Access article distributed under the terms of the Creative Commons Attribution License (), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. This article is available from: © 2007 Lancashire et al The JSpecView Project: an Open Source Java viewer and converter for JCAMP-DX, and XML spectral data filesĪddress: Department of Chemistry, The University of the West Indies, Mona Campus, Kingston 7, Jamaica Email: Robert J Lancashire - 7 December 2007 Received: 26 October 2007Ĭhemistry Central Journal 2007, 1:31 doi:l0.ll86/l752-l53X-l-3lĚccepted: 7 December 2007 ![]()
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