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Attributes
Diagrams
Facets
Identity Constraints
Instances
Properties
Source
Used by
Imported schema sphos.xsd
Namespace http://vamdc.org/xml/xsams/0.2/cases/sphos
Annotations
Schema for specifying the quantum numbers of closed-shell spherical top molecules
Properties
attribute form default: unqualified
element form default: qualified
Element sphos:QNs
Namespace http://vamdc.org/xml/xsams/0.2/cases/sphos
Annotations
A list of quantum numbers for closed-shell spherical top molecules
Diagram
Diagram sphos_xsd.tmp#id1499 sphos_xsd.tmp#id1500 sphos_xsd.tmp#id1501 sphos_xsd.tmp#id1502 sphos_xsd.tmp#id1503 sphos_xsd.tmp#id1504 sphos_xsd.tmp#id1505 sphos_xsd.tmp#id1506 sphos_xsd.tmp#id1507 sphos_xsd.tmp#id1508 sphos_xsd.tmp#id1509 sphos_xsd.tmp#id1510 sphos_xsd.tmp#id1511 sphos_xsd.tmp#id1498
Type sphos:QNsType
Properties
content: complex
Used by
Complex Type sphos:Case
Model sphos:ElecStateLabel{0,1} , sphos:S{0,1} , sphos:vi* , sphos:li* , sphos:vibSym{0,1} , sphos:J{0,1} , sphos:N{0,1} , sphos:rotSym{0,1} , sphos:I{0,1} , sphos:Fj* , sphos:F{0,1} , sphos:r* , sphos:parity{0,1}
Children sphos:ElecStateLabel, sphos:F, sphos:Fj, sphos:I, sphos:J, sphos:N, sphos:S, sphos:li, sphos:parity, sphos:r, sphos:rotSym, sphos:vi, sphos:vibSym
Instance
<sphos:QNs>
  <sphos:ElecStateLabel>{0,1}</sphos:ElecStateLabel>
  <sphos:S>{0,1}</sphos:S>
  <sphos:vi mode="">{0,unbounded}</sphos:vi>
  <sphos:li mode="">{0,unbounded}</sphos:li>
  <sphos:vibSym group="">{0,1}</sphos:vibSym>
  <sphos:J>{0,1}</sphos:J>
  <sphos:N>{0,1}</sphos:N>
  <sphos:rotSym group="">{0,1}</sphos:rotSym>
  <sphos:I nuclearSpinRef="">{0,1}</sphos:I>
  <sphos:Fj j="" nuclearSpinRef="">{0,unbounded}</sphos:Fj>
  <sphos:F nuclearSpinRef="">{0,1}</sphos:F>
  <sphos:r name="">{0,unbounded}</sphos:r>
  <sphos:parity>{0,1}</sphos:parity>
</sphos:QNs>
Source
<xs:element name="QNs" type="sphos:QNsType">
  <xs:annotation>
    <xs:documentation>A list of quantum numbers for closed-shell spherical top molecules</xs:documentation>
  </xs:annotation>
  <!-- the name attribute to r must be unique within each state -->
  <xs:unique name="r-name">
    <xs:selector xpath="sphos:r"/>
    <xs:field xpath="@name"/>
  </xs:unique>
  <!-- the mode index of Vi and li must be unique within each state -->
  <xs:unique name="vi-mode">
    <xs:selector xpath="sphos:vi"/>
    <xs:field xpath="@mode"/>
  </xs:unique>
  <xs:unique name="li-mode">
    <xs:selector xpath="sphos:li"/>
    <xs:field xpath="@mode"/>
  </xs:unique>
  <!-- the spin ref of Fj must be unique within each state -->
  <xs:unique name="Fj-spinref">
    <xs:selector xpath="sphos:Fj"/>
    <xs:field xpath="@nuclearSpinRef"/>
  </xs:unique>
  <!-- the j of Fj must be unique within each state -->
  <xs:unique name="Fj-ref">
    <xs:selector xpath="sphos:Fj"/>
    <xs:field xpath="@j"/>
  </xs:unique>
</xs:element>
Element sphos:QNsType / sphos:ElecStateLabel
Namespace http://vamdc.org/xml/xsams/0.2/cases/sphos
Annotations
The label of the electronic state: X, a, A, b, etc...
Diagram
Diagram
Type xs:string
Properties
content: simple
minOccurs: 0
maxOccurs: 1
Source
<xs:element name="ElecStateLabel" type="xs:string" minOccurs="0" maxOccurs="1">
  <xs:annotation>
    <xs:documentation>The label of the electronic state: X, a, A, b, etc...</xs:documentation>
  </xs:annotation>
</xs:element>
Element sphos:QNsType / sphos:S
Namespace http://vamdc.org/xml/xsams/0.2/cases/sphos
Annotations
The total electronic spin angular momentum quantum number
Diagram
Diagram commonTypes_xsd.tmp#id1245
Type AMType
Properties
content: simple
minOccurs: 0
Facets
pattern \d+(\.[0|5]?)?
Source
<xs:element name="S" type="ctypes:AMType" minOccurs="0">
  <xs:annotation>
    <xs:documentation>The total electronic spin angular momentum quantum number</xs:documentation>
  </xs:annotation>
</xs:element>
Element sphos:QNsType / sphos:vi
Namespace http://vamdc.org/xml/xsams/0.2/cases/sphos
Annotations
A vibrational quantum number, v_i
Diagram
Diagram commonTypes_xsd.tmp#id1250 commonTypes_xsd.tmp#id1249
Type VibrationalQNType
Properties
content: complex
minOccurs: 0
maxOccurs: unbounded
Attributes
QName Type Fixed Default Use Annotation
mode xs:nonNegativeInteger required
The label identifying the normal mode of this vibrational quantum number
Source
<xs:element name="vi" type="ctypes:VibrationalQNType" minOccurs="0" maxOccurs="unbounded">
  <xs:annotation>
    <xs:documentation>A vibrational quantum number, v_i</xs:documentation>
  </xs:annotation>
</xs:element>
Element sphos:QNsType / sphos:li
Namespace http://vamdc.org/xml/xsams/0.2/cases/sphos
Annotations
A quantum number, l_i, associated with the vibrational angular momentum of the nu_i normal mode
Diagram
Diagram commonTypes_xsd.tmp#id1252 commonTypes_xsd.tmp#id1251
Type VibrationalAMQNType
Properties
content: complex
minOccurs: 0
maxOccurs: unbounded
Attributes
QName Type Fixed Default Use Annotation
mode xs:nonNegativeInteger required
The label identifying the degenerate normal mode that this vibrational angular momentum quantum number applies to
Source
<xs:element name="li" type="ctypes:VibrationalAMQNType" minOccurs="0" maxOccurs="unbounded">
  <xs:annotation>
    <xs:documentation>A quantum number, l_i, associated with the vibrational angular momentum of the nu_i normal mode</xs:documentation>
  </xs:annotation>
</xs:element>
Element sphos:QNsType / sphos:vibSym
Namespace http://vamdc.org/xml/xsams/0.2/cases/sphos
Annotations
Symmetry species of the rotational wavefunction, in some appropriate symmetry group
Diagram
Diagram commonTypes_xsd.tmp#id1254 commonTypes_xsd.tmp#id1253
Type SymmetrySpeciesType
Properties
content: complex
minOccurs: 0
maxOccurs: 1
Attributes
QName Type Fixed Default Use Annotation
group optional
a string identifying the symmetry group this species belongs to
Source
<xs:element name="vibSym" type="ctypes:SymmetrySpeciesType" minOccurs="0" maxOccurs="1">
  <xs:annotation>
    <xs:documentation>Symmetry species of the rotational wavefunction, in some appropriate symmetry group</xs:documentation>
  </xs:annotation>
</xs:element>
Element sphos:QNsType / sphos:J
Namespace http://vamdc.org/xml/xsams/0.2/cases/sphos
Annotations
The rotational quantum number, J, associated with the total angular momentum excluding nuclear spin
Diagram
Diagram commonTypes_xsd.tmp#id1245
Type AMType
Properties
content: simple
minOccurs: 0
maxOccurs: 1
Facets
pattern \d+(\.[0|5]?)?
Source
<xs:element name="J" type="ctypes:AMType" minOccurs="0" maxOccurs="1">
  <xs:annotation>
    <xs:documentation>The rotational quantum number, J, associated with the total angular momentum excluding nuclear spin</xs:documentation>
  </xs:annotation>
</xs:element>
Element sphos:QNsType / sphos:N
Namespace http://vamdc.org/xml/xsams/0.2/cases/sphos
Annotations
The quantum number associated with the total angular momentum excluding electronic and nuclear spin: J = N + S
Diagram
Diagram
Type xs:nonNegativeInteger
Properties
content: simple
minOccurs: 0
Source
<xs:element name="N" type="xs:nonNegativeInteger" minOccurs="0">
  <xs:annotation>
    <xs:documentation>The quantum number associated with the total angular momentum excluding electronic and nuclear spin: J = N + S</xs:documentation>
  </xs:annotation>
</xs:element>
Element sphos:QNsType / sphos:rotSym
Namespace http://vamdc.org/xml/xsams/0.2/cases/sphos
Annotations
Symmetry species of the rotational wavefunction, in some appropriate symmetry group
Diagram
Diagram commonTypes_xsd.tmp#id1254 commonTypes_xsd.tmp#id1253
Type SymmetrySpeciesType
Properties
content: complex
minOccurs: 0
maxOccurs: 1
Attributes
QName Type Fixed Default Use Annotation
group optional
a string identifying the symmetry group this species belongs to
Source
<xs:element name="rotSym" type="ctypes:SymmetrySpeciesType" minOccurs="0" maxOccurs="1">
  <xs:annotation>
    <xs:documentation>Symmetry species of the rotational wavefunction, in some appropriate symmetry group</xs:documentation>
  </xs:annotation>
</xs:element>
Element sphos:QNsType / sphos:I
Namespace http://vamdc.org/xml/xsams/0.2/cases/sphos
Annotations
The quantum number associated with the total nuclear spin angular momentum resulting from the coupling of two or more individual nuclear spin angular momenta: I = I1 + I2 + ...
Diagram
Diagram commonTypes_xsd.tmp#id1245 commonTypes_xsd.tmp#id1246 commonTypes_xsd.tmp#id1244
Type NuclearSpinAMType
Type hierarchy
Properties
content: complex
minOccurs: 0
Attributes
QName Type Fixed Default Use Annotation
nuclearSpinRef restriction of xs:string required
A label identifying the nuclear spin to which an intermediate angular momentum is coupled
Source
<xs:element name="I" type="ctypes:NuclearSpinAMType" minOccurs="0">
  <xs:annotation>
    <xs:documentation>The quantum number associated with the total nuclear spin angular momentum resulting from the coupling of two or more individual nuclear spin angular momenta: I = I1 + I2 + ...</xs:documentation>
  </xs:annotation>
</xs:element>
Element sphos:QNsType / sphos:Fj
Namespace http://vamdc.org/xml/xsams/0.2/cases/sphos
Annotations
The quantum number, F_j, associated with the intermediate angular momentum due to coupling the rotational angular momentum with one nuclear spin (F_j may not be a good quantum number)
Diagram
Diagram commonTypes_xsd.tmp#id1245 commonTypes_xsd.tmp#id1246 commonTypes_xsd.tmp#id1244 commonTypes_xsd.tmp#id1248 commonTypes_xsd.tmp#id1247
Type NuclearSpinIntermediateAMType
Type hierarchy
Properties
content: complex
minOccurs: 0
maxOccurs: unbounded
Attributes
QName Type Fixed Default Use Annotation
j xs:positiveInteger required
An integer label, j, identifying Fj, an intermediate angular momentum quantum number
nuclearSpinRef restriction of xs:string required
A label identifying the nuclear spin to which an intermediate angular momentum is coupled
Source
<xs:element name="Fj" type="ctypes:NuclearSpinIntermediateAMType" minOccurs="0" maxOccurs="unbounded">
  <xs:annotation>
    <xs:documentation>The quantum number, F_j, associated with the intermediate angular momentum due to coupling the rotational angular momentum with one nuclear spin (F_j may not be a good quantum number)</xs:documentation>
  </xs:annotation>
</xs:element>
Element sphos:QNsType / sphos:F
Namespace http://vamdc.org/xml/xsams/0.2/cases/sphos
Annotations
The quantum number, F, associated with the total angular momentum including nuclear spin
Diagram
Diagram commonTypes_xsd.tmp#id1245 commonTypes_xsd.tmp#id1246 commonTypes_xsd.tmp#id1244
Type NuclearSpinAMType
Type hierarchy
Properties
content: complex
minOccurs: 0
maxOccurs: 1
Attributes
QName Type Fixed Default Use Annotation
nuclearSpinRef restriction of xs:string required
A label identifying the nuclear spin to which an intermediate angular momentum is coupled
Source
<xs:element name="F" type="ctypes:NuclearSpinAMType" minOccurs="0" maxOccurs="1">
  <xs:annotation>
    <xs:documentation>The quantum number, F, associated with the total angular momentum including nuclear spin</xs:documentation>
  </xs:annotation>
</xs:element>
Element sphos:QNsType / sphos:r
Namespace http://vamdc.org/xml/xsams/0.2/cases/sphos
Annotations
A named ranking index for states of the same symmetry that can't be or haven't been differentiated any other way: r=1,2,... It is possible to have more than one r defining a state, but their name attributes have to be unique.
Diagram
Diagram commonTypes_xsd.tmp#id1243 commonTypes_xsd.tmp#id1242
Type RankingType
Properties
content: complex
minOccurs: 0
maxOccurs: unbounded
Attributes
QName Type Fixed Default Use Annotation
name required
a string identifying this ranking index
Source
<xs:element name="r" type="ctypes:RankingType" minOccurs="0" maxOccurs="unbounded">
  <xs:annotation>
    <xs:documentation>A named ranking index for states of the same symmetry that can't be or haven't been differentiated any other way: r=1,2,... It is possible to have more than one r defining a state, but their name attributes have to be unique.</xs:documentation>
  </xs:annotation>
</xs:element>
Element sphos:QNsType / sphos:parity
Namespace http://vamdc.org/xml/xsams/0.2/cases/sphos
Annotations
Total parity with respect to inversion through the molecular centre of mass in the laboratory coordinate system
Diagram
Diagram commonTypes_xsd.tmp#id1255
Type PMParityType
Properties
content: simple
minOccurs: 0
maxOccurs: 1
Facets
pattern \+|-
Source
<xs:element name="parity" type="ctypes:PMParityType" minOccurs="0" maxOccurs="1">
  <xs:annotation>
    <xs:documentation>Total parity with respect to inversion through the molecular centre of mass in the laboratory coordinate system</xs:documentation>
  </xs:annotation>
</xs:element>
Complex Type sphos:QNsType
Namespace http://vamdc.org/xml/xsams/0.2/cases/sphos
Diagram
Diagram sphos_xsd.tmp#id1499 sphos_xsd.tmp#id1500 sphos_xsd.tmp#id1501 sphos_xsd.tmp#id1502 sphos_xsd.tmp#id1503 sphos_xsd.tmp#id1504 sphos_xsd.tmp#id1505 sphos_xsd.tmp#id1506 sphos_xsd.tmp#id1507 sphos_xsd.tmp#id1508 sphos_xsd.tmp#id1509 sphos_xsd.tmp#id1510 sphos_xsd.tmp#id1511
Used by
Element sphos:QNs
Model sphos:ElecStateLabel{0,1} , sphos:S{0,1} , sphos:vi* , sphos:li* , sphos:vibSym{0,1} , sphos:J{0,1} , sphos:N{0,1} , sphos:rotSym{0,1} , sphos:I{0,1} , sphos:Fj* , sphos:F{0,1} , sphos:r* , sphos:parity{0,1}
Children sphos:ElecStateLabel, sphos:F, sphos:Fj, sphos:I, sphos:J, sphos:N, sphos:S, sphos:li, sphos:parity, sphos:r, sphos:rotSym, sphos:vi, sphos:vibSym
Source
<xs:complexType name="QNsType">
  <xs:sequence>
    <!-- ElecStateLabel -->
    <xs:element name="ElecStateLabel" type="xs:string" minOccurs="0" maxOccurs="1">
      <xs:annotation>
        <xs:documentation>The label of the electronic state: X, a, A, b, etc...</xs:documentation>
      </xs:annotation>
    </xs:element>
    <!-- S -->
    <xs:element name="S" type="ctypes:AMType" minOccurs="0">
      <xs:annotation>
        <xs:documentation>The total electronic spin angular momentum quantum number</xs:documentation>
      </xs:annotation>
    </xs:element>
    <!-- vi -->
    <xs:element name="vi" type="ctypes:VibrationalQNType" minOccurs="0" maxOccurs="unbounded">
      <xs:annotation>
        <xs:documentation>A vibrational quantum number, v_i</xs:documentation>
      </xs:annotation>
    </xs:element>
    <!-- li -->
    <xs:element name="li" type="ctypes:VibrationalAMQNType" minOccurs="0" maxOccurs="unbounded">
      <xs:annotation>
        <xs:documentation>A quantum number, l_i, associated with the vibrational angular momentum of the nu_i normal mode</xs:documentation>
      </xs:annotation>
    </xs:element>
    <!-- vibSym -->
    <xs:element name="vibSym" type="ctypes:SymmetrySpeciesType" minOccurs="0" maxOccurs="1">
      <xs:annotation>
        <xs:documentation>Symmetry species of the rotational wavefunction, in some appropriate symmetry group</xs:documentation>
      </xs:annotation>
    </xs:element>
    <!-- J -->
    <xs:element name="J" type="ctypes:AMType" minOccurs="0" maxOccurs="1">
      <xs:annotation>
        <xs:documentation>The rotational quantum number, J, associated with the total angular momentum excluding nuclear spin</xs:documentation>
      </xs:annotation>
    </xs:element>
    <!-- N -->
    <xs:element name="N" type="xs:nonNegativeInteger" minOccurs="0">
      <xs:annotation>
        <xs:documentation>The quantum number associated with the total angular momentum excluding electronic and nuclear spin: J = N + S</xs:documentation>
      </xs:annotation>
    </xs:element>
    <!-- rotSym -->
    <xs:element name="rotSym" type="ctypes:SymmetrySpeciesType" minOccurs="0" maxOccurs="1">
      <xs:annotation>
        <xs:documentation>Symmetry species of the rotational wavefunction, in some appropriate symmetry group</xs:documentation>
      </xs:annotation>
    </xs:element>
    <!-- I -->
    <xs:element name="I" type="ctypes:NuclearSpinAMType" minOccurs="0">
      <xs:annotation>
        <xs:documentation>The quantum number associated with the total nuclear spin angular momentum resulting from the coupling of two or more individual nuclear spin angular momenta: I = I1 + I2 + ...</xs:documentation>
      </xs:annotation>
    </xs:element>
    <!-- Fj -->
    <xs:element name="Fj" type="ctypes:NuclearSpinIntermediateAMType" minOccurs="0" maxOccurs="unbounded">
      <xs:annotation>
        <xs:documentation>The quantum number, F_j, associated with the intermediate angular momentum due to coupling the rotational angular momentum with one nuclear spin (F_j may not be a good quantum number)</xs:documentation>
      </xs:annotation>
    </xs:element>
    <!-- F -->
    <xs:element name="F" type="ctypes:NuclearSpinAMType" minOccurs="0" maxOccurs="1">
      <xs:annotation>
        <xs:documentation>The quantum number, F, associated with the total angular momentum including nuclear spin</xs:documentation>
      </xs:annotation>
    </xs:element>
    <!-- r -->
    <xs:element name="r" type="ctypes:RankingType" minOccurs="0" maxOccurs="unbounded">
      <xs:annotation>
        <xs:documentation>A named ranking index for states of the same symmetry that can't be or haven't been differentiated any other way: r=1,2,... It is possible to have more than one r defining a state, but their name attributes have to be unique.</xs:documentation>
      </xs:annotation>
    </xs:element>
    <!-- parity -->
    <xs:element name="parity" type="ctypes:PMParityType" minOccurs="0" maxOccurs="1">
      <xs:annotation>
        <xs:documentation>Total parity with respect to inversion through the molecular centre of mass in the laboratory coordinate system</xs:documentation>
      </xs:annotation>
    </xs:element>
  </xs:sequence>
</xs:complexType>
Complex Type sphos:ThisCase
Namespace http://vamdc.org/xml/xsams/0.2/cases/sphos
Diagram
Diagram commonTypes_xsd.tmp#id606 commonTypes_xsd.tmp#id605 sphos_xsd.tmp#id1513
Type restriction of BaseCase
Type hierarchy
Properties
abstract: true
Used by
Complex Type sphos:Case
Attributes
QName Type Fixed Default Use Annotation
caseID xs:string sphos required
Source
<xs:complexType name="ThisCase" abstract="true">
  <xs:complexContent>
    <xs:restriction base="ctypes:BaseCase">
      <xs:attribute name="caseID" type="xs:string" use="required" fixed="sphos"/>
    </xs:restriction>
  </xs:complexContent>
</xs:complexType>
Complex Type sphos:Case
Namespace http://vamdc.org/xml/xsams/0.2/cases/sphos
Diagram
Diagram commonTypes_xsd.tmp#id606 commonTypes_xsd.tmp#id605 sphos_xsd.tmp#id1513 sphos_xsd.tmp#id1512 sphos_xsd.tmp#id1497
Type extension of sphos:ThisCase
Type hierarchy
Model sphos:QNs
Children sphos:QNs
Attributes
QName Type Fixed Default Use Annotation
caseID xs:string sphos required
Source
<xs:complexType name="Case">
  <xs:complexContent>
    <xs:extension base="sphos:ThisCase">
      <xs:sequence>
        <xs:element ref="sphos:QNs" minOccurs="1" maxOccurs="1"/>
      </xs:sequence>
    </xs:extension>
  </xs:complexContent>
</xs:complexType>
Attribute sphos:ThisCase / @caseID
Namespace No namespace
Type xs:string
Properties
use: required
fixed: sphos
Used by
Complex Type sphos:ThisCase
Source
<xs:attribute name="caseID" type="xs:string" use="required" fixed="sphos"/>