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XML and A+M Data Exchange

This paper presented by Yuri Ralchenko at the IAEA discusses the need for new data exchange standards in atomic and molecular data, specifically highlighting the Atomic and Molecular Data Markup Language (AMDML). It outlines the limitations of legacy systems like ALADDIN and introduces the XML Schema, which facilitates the validation of data files prior to exchange. The timeline of AMDML's development, ongoing collaborations, and future steps towards enhancing data consistency and accessibility in the scientific community are also examined.

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XML and A+M Data Exchange

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  1. XML and A+M Data Exchange Yuri Ralchenko National Institute of Standards and Technology IAEA, Vienna, Oct 10-11, 2005

  2. Why new A+M data exchange standard?.. • ANY computer technology becomes outdated sooner or later… • …ALADDIN is from pre-Internet and pre-grid era • XML Schema can tell not only “how” but also “what” : one can test the validity of the file before it is exchanged • Atomic and Molecular Data Markup Language: AMDML • Consistent presentation of actual data (exp/theo/rec), data units, accuracies, bibliographic references

  3. Timeline • Oct 2003, 17th A+M Technical Meeting, IAEA • Oct 2004, ICAMDATA-04, Toki, Japan • Development of the Atomic and Molecular Data Markup Language for Internet Data Exchange (Ralchenko, Clark, Humbert, Schultz, Kato, and Rhee, to be published in ICAMDATA Proceedings, 2005) • May 2005, two-day meeting at IAEA • Oct 12, 2005, one-day meeting at IAEA

  4. Where are we?.. • Main obstacle: lack of time (no surprise…) • As universal as possible, as detailed as need be • AMDML (atomic part) is nearing completion • Sporadic communication with other research groups

  5. General Structure of ADMDL files

  6. Expanded “States” field

  7. <?xml version="1.0" encoding="UTF-8"?> <!--Sample XML file generated by XMLSpy v2006 U (http://www.altova.com)--> <atomicData xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="C:\temp\amdml_1005.xsd"> <states> <chemElement nuclearCharge="18" symbol="Ar"> <ionState mass="40" charge="8" bibref="atmass"> <atomicState stateID="lev8_1"> <stateEnergy> <value units="eV" bibRef="ref1">0</value> <comment>This is a ground state</comment> </stateEnergy> <parity>even</parity> <ionizationPotential> <value units="eV" bibRef="ref2">143.46</value> <accuracy>0.02</accuracy> </ionizationPotential> <basisComposition stateType="level"> <component> <configuration> <shells> <shell> <principalQN>2</principalQN> <orbitalMomentum> <l_Value>1</l_Value> <spectroscopicNotation>p</spectroscopicNotation> </orbitalMomentum> <numbElectrons>6</numbElectrons> </shell> </shells> </configuration> <mixingCoefficient>0.99</mixingCoefficient> </component> </basisComposition> <totalAngularMomentum>0</totalAngularMomentum> <statisticalWeight>1</statisticalWeight> </atomicState> </ionState> <ionState mass="40" charge="9" bibref="atmass"> <atomicState stateID="lev9_1"> <stateEnergy> <value units="eV" bibRef="ref1">0</value> </stateEnergy> <parity>odd</parity> </atomicState> </ionState> </chemElement> </states> <bibRefs> <bibRef bibID="atmass">Bibliographic reference to Ar mass</bibRef> <bibRef bibID="ref1">A. U. Thor, Phys. Rev. A 1000, 1000 (2005)</bibRef> <bibRef bibID="ref2">B. B. King, Phys. Rev. B 2000, 2000 (2000)</bibRef> </bibRefs> </atomicData>

  8. What’s next?... • Contribution from all data centers would be most appreciated • More collaboration with computer science experts (students)?... • Add AMDML output option to the DCN databases • Collaboration with other research groups (e.g., IVOA), especially in molecular data • ICAMDATA-2006: should it be the next time mark? • Hurry up!

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