XML for Microanalysis

John Henry J. Scott

Program: Industrial and Analytical Instruments and Services

Vision: The rapid spread of XML technology in many fields of chemical analysis has led
to renewed interest in applying XML to the data exchange and data storage problems faced
by the microanalysis community. Information about all aspects of a microanalysis
experiment (not just spectral results) can be captured by a well-designed Microanalysis
Markup Language (MML), which should:

• Enable the free exchange of spectral information among microanalytical
instrument users by developing an XML-compliant markup language for
spectroscopy data.
• Provide a framework for sharing microanalysis data community-wide to allow
more sophisticated theoretical model building and model assessment to take
place.
• Create a document format for long-term archiving of microanalysis data that
diminishes the effect of “bit-rot” and software decay and helps prevent the loss
of data due to lost file formats.

Context: After testing several variation of the markup language and exploring design
tradeoffs, multiple working prototypes were implemented to store test data.
Independently, the Microanalysis Research Group XML effort began integration into the
ASTM E13.15 Animl analytical data markup language project headed by Gary Kramer in
the Analytical Chemistry Division. The two projects can interoperate cleanly and a
microanalysis component can be added to the Animl project through the development of
technique schemas (defined by the Animl framework) based on common microanalysis
data acquisition modalities such as scanning transmission electron microscope (STEM),
scanning electron microscopy (SEM), and elemental analysis spectroscopies such as
electron energy-loss spectroscopy (EELS) and energy-dispersive x-ray spectrometry
(XEDS).

• Implemented multiple working prototypes of Microanalysis Markup Language
(MML) based on the original ASCII file format created by the EMSA task
force.
• Initiated contact with NIST collaborators Gary Kramer, Dominik Poetz, and
Peter Linstrom to integrate concepts from SpectroML and Animl.
• Began contributing to Animl development by attending meetings, studying the
schema and framework, and learning the role of ASTM Analytical Data Sub
Committee E13.15.

• Creation of new microanalysis technique schemas for Animl covering
spectroscopies and electron optical scanning techniques (STEM, SEM,
Spectrum Imaging) will add significantly to their schema list.
• XML-based metadata already useful for storing information about spectrum
imaging experiments to complement LISPIX .rpl files and 3D Chemical
Imaging competence.

Future Plans:

• Continue to extend and refine the standard to resolve remaining questions.
• Develop a more detailed model for XML use in spectrum imaging applications.
• Explore the use of XML in building a data pipeline for 3D Chemical Imaging at
the Nanoscale.

Web Contact micro@nist.gov