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XML and A+M Data Exchange

XML and A+M Data Exchange. Yuri Ralchenko National Institute of Standards and Technology. IAEA, Vienna, Oct 10-11, 2005. Why new A+M data exchange standard?. ANY computer technology becomes outdated sooner or later… …ALADDIN is from pre-Internet and pre-grid era

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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 • ANY computer technology becomes outdated sooner or later… • …ALADDIN is from pre-Internet and pre-grid era • XML Schema can tell not only “how” but also “what” : one can test the validity of the file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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