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xquery.txt
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for $xsams in collection('nRHuD-X9acxItEFxGFvhVfY1.dbxml')/XSAMSData/Species/Atoms/Atom
for $radTrans in collection('nRHuD-X9acxItEFxGFvhVfY1.dbxml')/XSAMSData/Processes
for $stateID in $xsams/Isotope/Ion/AtomicState/@stateID
for $lowerStateRef in $radTrans/Radiative/RadiativeTransition[LowerStateRef=$stateID]
let $NuclearCharge := $xsams/ChemicalElement/NuclearCharge
let $MassNumber := $xsams/Isotope/IsotopeParameters/MassNumber
let $InChIKey := $xsams/Isotope/Ion/InChIKey
let $NuclearSpin := $xsams/Isotope/IsotopeParameters/NuclearSpin
let $InChI := $xsams/Isotope/Ion/InChI
let $UpperStateRef := $lowerStateRef/*/UpperStateRef
let $Mass := $xsams/Isotope/IsotopeParameters/Mass/Value
let $Energy := $lowerStateRef/*/Energy/Value
let $speciesID := $xsams/Isotope/Ion/@speciesID
where $xsams/Isotope/Ion/AtomicState/@stateID=$stateID
return concat($NuclearCharge, ",", $MassNumber, ",", $InChIKey, ",", $NuclearSpin, ",", $InChI, ",", $UpperStateRef, ",", $Mass, ",", $Energy, ",", $speciesID)