dxms01.pdf (1.062.527 Bytes) 
JCAMP-DX for Mass Spectrometry
PETER LAMPEN, HEINRICH HILLIG, ANTONY N. DAVIES, and MICHAEL LINSCHEID
Appl. Spectrosc. 48(12), pp1545-1552, 1994  
JCAMP-DX has, for several years, been the standard form for the exchange of infrared spectral data. More recently JCAMP-DX protocols have been published for chemical structure data and for nuclear magnetic resonance spectroscopy. This publication presents a new JCAMP-DX data exchange protocol for mass spectrometry, covering the transport of single spectra, spectral series, and raw data files. The protocol can be implemented on any computer system and storage media. It is completely manufacturer independent. As with previous publications in this series, the aim is to provide reliable data transfer without loss of information regardless of the hardware or software involved. A comparison to the work on a binary protocol currently being carried out by the Analytical Instrument Association is also presented. 

dx5-01-correctedv2.pdf (54.333 Bytes) 
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.
Version 5.00 of the JCAMP-DX specifications were published for NMR and Mass Spectrometry file formats in Appl. Spectrosc. 47, 1093-1099 (1993) and Appl. Spectrosc, 48, 1545-1552 (1994). Since publication of these protocols developments in spectroscopy have led to a large number of requests for additions for applications not originally covered. Following careful consideration, it has become apparent that a few minor modifications will significantly increase the range of possible applications. In addition, new data labels have been introduced to ensure that files are year 2000 compliant and allow for conformity with good laboratory practices (GLP). These modifications are detailed in this publication as well as examples of the official NTUPLE JCAMP-DX definition as applied to NMR data. Minor corrections to typing errors have been made to this PDF version.

ims-dx PAC 73(11) pp1765-1782 2001.pdf (179,273 bytes)
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.
The relatively young field of ion mobility spectrometry has now advanced to the stage where the need to reliably exchange the spectroscopic data obtained worldwide by this technique has become extremely urgent. To assist in the validation of the various new spectrometer designs and to assist in inter-comparisons between different laboratories reference data collections are being established for which an internationally recognized electronic data exchange format is essential.
To make the data exchange between users and system administration possible, it is important to define a file format epecially made for the requirements of ion-mobility spectrometry.The format should be computer readable and flexible enough for extensive comments to be included.In this document,we define a data exchange format,agreed on by a working group of the International Society for Ion Mobility Spectrometry at Hilton Head Island, USA (1998)and Buxton,UK (1999).

NMR Pulse Sequences PAC 79(11) pp1748-1764 2001.pdf (225,778 bytes)
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.
In drawing up the specifications for a standard for multidimensional nuclear magnetic resonance spectroscopy (NMR) it became clear that the spectroscopic data content needed to be qualified by experimental condition information especially pertaining to the pulse sequences used to obtain the free induced decays or spectra.Failure to include this information not only severely inhibits the ability of subsequent data handling packages to work with the experimental data, but also makes interpretation of the final results virtually impossible. This paper has been produced in collaboration with the NMR spectrometer manufacturers in an attempt to get agreement on a definitive list of the most frequently used pulse sequence programs.The list includes entries where common agreement has been reached as to the acronym to name the experiment and the key instrument independent parameters needed to report concisely. It is not intended to restrict in any way the freedom of manufacturers or users to develop new and novel experimental pulse sequences,but should aid reporting of experimental data where the more common sequences are in use.