<xs:complexType name="BaseCase"><xs:annotation><xs:documentation>root for QNs elements of cases.
In main schema it's it that is referenced.
Each case should extend this type to add his qn's and restrictions</xs:documentation></xs:annotation><xs:attribute name="caseID" type="xs:string" use="required"><xs:annotation><xs:documentation>The name of the case</xs:documentation></xs:annotation></xs:attribute></xs:complexType>
<xs:complexType name="SymType"><xs:simpleContent><xs:extension base="xs:string"><xs:attribute name="name" use="optional"><xs:annotation><xs:documentation>a string identifying this symmetry label</xs:documentation></xs:annotation></xs:attribute><xs:attribute name="group" use="optional"><xs:annotation><xs:documentation>a string identifying the group to which this symmetry label applies</xs:documentation></xs:annotation></xs:attribute></xs:extension></xs:simpleContent></xs:complexType>
A label identifying the nuclear spin to which an intermediate angular momentum is coupled
Source
<xs:complexType name="NuclearSpinAMType"><xs:simpleContent><xs:extension base="ctypes:AMType"><xs:attribute name="nuclearSpinRef" use="required"><xs:annotation><xs:documentation>A label identifying the nuclear spin to which an intermediate angular momentum is coupled</xs:documentation></xs:annotation><xs:simpleType><xs:restriction base="xs:string"><xs:pattern value=".+"/></xs:restriction></xs:simpleType></xs:attribute></xs:extension></xs:simpleContent></xs:complexType>
The label identifying the normal mode of this vibrational quantum number
Source
<xs:complexType name="VibrationalQNType"><xs:simpleContent><xs:extension base="xs:nonNegativeInteger"><xs:attribute name="mode" type="xs:nonNegativeInteger" use="required"><xs:annotation><xs:documentation>The label identifying the normal mode of this vibrational quantum number</xs:documentation></xs:annotation></xs:attribute></xs:extension></xs:simpleContent></xs:complexType>
The label identifying the degenerate normal mode that this vibrational angular momentum quantum number applies to
Source
<xs:complexType name="VibrationalAMQNType"><xs:simpleContent><xs:extension base="xs:integer"><xs:attribute name="mode" type="xs:nonNegativeInteger" use="required"><xs:annotation><xs:documentation>The label identifying the degenerate normal mode that this vibrational angular momentum quantum number applies to</xs:documentation></xs:annotation></xs:attribute></xs:extension></xs:simpleContent></xs:complexType>
a string identifying the symmetry group this species belongs to
Source
<xs:complexType name="SymmetrySpeciesType"><xs:simpleContent><xs:extension base="xs:string"><xs:attribute name="group" use="optional"><xs:annotation><xs:documentation>a string identifying the symmetry group this species belongs to</xs:documentation></xs:annotation></xs:attribute></xs:extension></xs:simpleContent></xs:complexType>
<xs:attribute name="caseID" type="xs:string" use="required"><xs:annotation><xs:documentation>The name of the case</xs:documentation></xs:annotation></xs:attribute>
<xs:attribute name="group" use="optional"><xs:annotation><xs:documentation>a string identifying the group to which this symmetry label applies</xs:documentation></xs:annotation></xs:attribute>
<xs:attribute name="nuclearSpinRef" use="required"><xs:annotation><xs:documentation>A label identifying the nuclear spin to which an intermediate angular momentum is coupled</xs:documentation></xs:annotation><xs:simpleType><xs:restriction base="xs:string"><xs:pattern value=".+"/></xs:restriction></xs:simpleType></xs:attribute>
<xs:attribute name="nuclearSpinRef" use="required"><xs:annotation><xs:documentation>A label identifying the nuclear spin to which an intermediate angular momentum is coupled</xs:documentation></xs:annotation><xs:simpleType><xs:restriction base="xs:string"><xs:pattern value=".+"/></xs:restriction></xs:simpleType></xs:attribute>
<xs:attribute name="mode" type="xs:nonNegativeInteger" use="required"><xs:annotation><xs:documentation>The label identifying the normal mode of this vibrational quantum number</xs:documentation></xs:annotation></xs:attribute>
<xs:attribute name="mode" type="xs:nonNegativeInteger" use="required"><xs:annotation><xs:documentation>The label identifying the degenerate normal mode that this vibrational angular momentum quantum number applies to</xs:documentation></xs:annotation></xs:attribute>
<xs:attribute name="group" use="optional"><xs:annotation><xs:documentation>a string identifying the symmetry group this species belongs to</xs:documentation></xs:annotation></xs:attribute>