Analytical instrument association format

In this article the two most modem standard formats will be addressed. The text will deal with the standards produced by the Joint Committee on Atomic and Molecular Physical Data (JCAMP) and those of the Analytical Instruments Association (AIA). In a short article such as this there is not enough space to attempt a full description of either the format types or their potential. If you wish to implement these standards or to understand more about the standards you already have in use it is essential to refer back to the original literature cited herein. 

AIA = Analytical Instruments Association AFFN = ASCII free format numeric API = application programming interface ASDF = ASCII squeezed difference form ASMS = American Society of Mass Spectrometry ASTM = American Society for Testing and Materials CCDB = Committee on Chemical Databases CDF = common data form CPEP = Committee on Printed and Electronic Publications CS = chemical structure EPA = United States Environmental Protection Agency lUPAC = International Union of Pure and Applied Chemistry JCAMP-DX = Joint Committee on Atomic and Molecular Physical Data - Data Exchange LDR = labeled data record netCDF = network common data form SMD = standardized molecular data UCAR = University Corporation for Atmospheric Research XDR = external data representation. 

The Analytical Instrument Association (AIA) created a netCDF-based Analytical Data Interchange (ANDI) format for chromatography that received widespread acceptance. After this success, the AIA adopted a standard for mass spectroscopy in 1993 and began definitions for infrared and NMR. This mass spectroscopy standard, although supported by a few vendors, has not received wide usage and the infrared and NMR definitions have not been implemented. 

The electronic notebook space approaches will only work effectively if the new form of notebook is kept in a way that promotes understandability by other persons. This requires a consistent, logical, and complete presentation of all work. Carefully crafted abstracts are necessary. An annotated dictionary of terms is essential. Some degree of standardization in format is required. And adherence to a common data format, such as the Analytical Data Interchange Standard/Analytical Instrument Manufacturers Association (ADISS/AIM) standard, would be helpful. However, the new electronic journal needs to be much more if it is to serve individual, group, and corporate needs in unique ways. The future is a foreign country, they do things differently there. 

Process analytical chemistry generally describes the science and technology associated with displacement of laboratory-based measurements with sensors and instrumentation positioned closer to the site of operation. Although industrial process analyzers have been in use for more than 60 years [3], the modern period of essentially began with the formation of the Center for Process Analytical Chemistry (CPAC) in 1984 [4]. As described by Callis, Illman, and Kowalski [5], the goal of... 

Ion mobility spectrometry (IMS) is an instrumental method where sample vapors are ionized and gaseous ions derived from a sample are characterized for speed of movement as a swarm in an electric field [1], The steps for both ion formation and ion characterization occur in most analytical mobility spectrometers at ambient pressure in a purified air atmosphere, and one attraction of this method is the simplicity of instrumentation without vacuum systems as found in mass spectrometers. Another attraction with this method is the chemical information gleaned from an IMS measurement including quantitative information, often with low limits of detection [2 1], and structural information or classification by chemical family [5,6], Much of the value with a mobility spectrometer is the selectivity of response that is associated with gas-phase chemical reactions in air at ambient pressure where substance can be preferentially ionized and detected while matrix interferences can be eliminated or suppressed. In 2004, over 20000 IMS-based analyzers such as those shown in Fig. 1 are placed at airports and other sensitive locations worldwide as commercially available instruments for the determination of explosives at trace concentration [7],... 

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