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ASTM/IUPAC Standards for Exchange and Archiving
of Instrument Data and NIST Chemical Reference Data – AnIML
Principal
Investigator: Gary Kramer (301) 975-4132
gary.kramer@nist.govObjectives:
To create and promulgate ASTM/IUPAC standards
for the "Analytical Information Markup Language" (AnIML) for
instrument-to-instrument, instrument-to-application, and
application-to-application interchange and archiving of analytical chemistry
spectroscopy and chromatography data. Background:
The exchange and storage of analytical
chemistry data has long been hampered by multiple, incompatible data formats.
Existing data interchange standards, such as ASTM’s ANalytical Data Interchange
(ANDI) and IUPAC’s JCAMP-DX (Joint Committee on Atomic and Molecular
Physics–Data Exchange) standards, are supported by several commercial software
products, but these are pre-web-based technologies that rely upon stand-alone
applications to carry out the interchange. While most of these schemes can
interchange data from instrument to instrument, data interchange from instrument
to application (e.g., importing data from an instrument into an Excel
spreadsheet) is not well supported, and application-to-application tasks are not
handled at all. New concepts such as electronic laboratory notebooks require
simple, common mechanisms for interchanging data from instruments to
applications and databases. The U.S. Food and Drug Administration (FDA) is now
requiring the retention and accessibility of analytical data on a pharmaceutical
throughout and beyond the lifetime of that drug. As the amount of analytical
data grows, the worldwide pharmaceutical industry armed only with current
electronic data handling methods is losing the battle to meet this requirement.
It is imperative that data formats and archiving schemes be developed that are
independent of specific hardware and software, that keep the scientific metadata
attached to the analytical data themselves, that will be readable in the future,
and that are easily transportable into other storage and representational
formats as information technology evolves. Other sectors, such as the
environmental regulatory and clinical chemistry communities, that depend heavily
on analytical chemistry data have similar needs and mandates.
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