AnIML

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AnIML

• Proposal for
• Core and Technical Layers

ASTM E13.15 AnIML working group meeting,
September 2003
ISAS and CREONLABCONTROL AG
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Who developed the proposal?

• Joint effort by IUPAC CPEP subcommittee on
  electronic data standards and CREONLABCONTROL
  AG (CLC)
• Authors Peter Lampen (ISAS, IUPAC), Tony Davies
  (CLC, IUPAC), Maren Fiege (CLC), Thorsten
  Froehlich (CLC)
• Tony and Thorsten are members of the ASTM E13.15
  subcommittee
• Peter and Tony have eminent knowledge of the
  JCAMP-DX standards and were involved in their
  specification

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What is the proposals origin?

• Necessity for common standard, based on existing
  standards and experiences
• Proposed AnIML Schema was created based on
  JCAMP-DX and ANDI (netCDF) Data Dictionaries.

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XML Schema Definition

• AnIML Core, Sample and Technique Shells of
  proposal are specified as a W3C compliant
  XML-Schema (agreement at April meeting of ASTM
  E13.15 subcommittee)
• XML- Schemas provide means for defining the
  structure and semantics of XML documents.

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Basic Shell Concept
Additional Sample shell to get a clear
separation between core data and technical layer
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Core Shell (1)

• Core shell contains minimum set of data that can
  be displayed in a simple viewer.
• Only in context with Sample Layer and
  Technical Layer, the core data achieves
  correlation to measurement.
• The data set is stored as vectors in
  base64Binary format.
• The core is generic so it can store any kind of
  data (0D, 1D, 2D, peak tables, ).

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Core Shell (2)
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Sample Shell
The SampleSet shell envelops one or more cores,
providing information about the measured
sample(s) and substance(s).
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Technique Shell (1)

• The shells can be viewed from the inside shell
  (core) to the outer shells. For example, the core
  can be viewed standalone (or maybe with its
  SampleSet shell), but future instruments would
  embed core and sample shell within a technique
  shell.
• For more complex methods, it should also be
  possible to incorporate multiple technique shells
  into one vendor shell.
• The ASTM E13.15 subcommittee must also define
  basic elements within sample and technique layer,
  which are required to understand the documents
  independent of the instrument and technique.

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Technique Shell (2)
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Summary

• Working proposal for the AnIML Core, Sample and
  Technical shells
• Created by joint effort between ISAS and
  CREONLABCONTROL AG
• CLC uses XML for information exchange between
  software components and has strategic interest in
  supporting the ASTM AnIML initiative.