This presentation was given at the ACS Boston meeting with the following abstract
Analytical science underpins so many different types of chemistry that it is clearly indispensable. Nuclear Magnetic Resonance and infrared spectroscopy, mass spectrometry and chromatography, and a myriad of other forms of analytical science are easily available to scientists today, commonly in open access walk up labs. While instrumentation is now compact and highly flexible, and the controlling software is both powerful and easy to use, significant challenges remain in terms of the management and integration of various forms of analytical data and, more importantly, the exchange of data between scientists. In general the reporting of data in peer-reviewed journals is limited to electronic supplementary information in the form of PDF files or, occasionally in the form of webpages. Many of the strengths in analytical data resides in the ability to database diverse data types and interrogate later performing searches based on metadata, spectral features and related chemical structure information. The need for file format export and conversions from binary file formats associated with the majority of analytical instrumentation remains a major objective in the field. While file formats such as JCAMP and NetCDF have enabled data exchange for a number of years the requirement for more advanced formats (such as AnIML and mzML) has continued. This presentation will review existing activities in the development of exchangeable formats and progress in utilizing existing formats for the delivery of reusable analytical data to the community.