NXxas and NXxas_trans application definitions and required base classes

base_classes/NXabsorption_edge.nxdl.xml

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+<?xml version="1.0" encoding="UTF-8"?>
+<?xml-stylesheet type="text/xsl" href="nxdlformat.xsl" ?>
+<!--
+# NeXus - Neutron and X-ray Common Data Format
+#
+# Copyright (C) 2026 NeXus International Advisory Committee (NIAC)
+#
+# This library is free software; you can redistribute it and/or
+# modify it under the terms of the GNU Lesser General Public
+# License as published by the Free Software Foundation; either
+# version 3 of the License, or (at your option) any later version.
+#
+# This library is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
+# Lesser General Public License for more details.
+#
+# You should have received a copy of the GNU Lesser General Public
+# License along with this library; if not, write to the Free Software
+# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA  02111-1307  USA
+#
+# For further information, see http://www.nexusformat.org
+-->
+<definition name="NXabsorption_edge" type="group" extends="NXobject" category="base"
+  xmlns="http://definition.nexusformat.org/nxdl/3.1"
+  xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://definition.nexusformat.org/nxdl/3.1 ../nxdl.xsd">
+  <doc>
+    An X-ray absorption edge.
+
+    An absorption edge is a sharp discontinuity in the X-ray absorption spectrum
+    of an atom that occurs when the incident photon energy reaches the threshold
+    energy for exciting the atom to a state with a core vacancy. The threshold
+    energy is characteristic of the element and can depend on the chemical state
+    of the atom.
+  </doc>
+  <field name="name" type="NX_CHAR">
+    <doc>
+        Name of the absorption edge using `IUPAC notation`_ (e.g., ``K``,
+        ``L2``, ``M5``), which identifies the core-vacancy state of the
+        atom.
+
+        Correspondence between IUPAC notation and electron configuration,
+        expressed as vacancy notation (superscript :math:`-1`):
+
+        .. list-table::
+           :header-rows: 1
+
+           * - IUPAC
+             - Electron configuration
+           * - ``K``
+             - :math:`1s^{-1}`
+           * - ``L1``
+             - :math:`2s^{-1}`
+           * - ``L2``
+             - :math:`2p_{1/2}^{-1}`
+           * - ``L3``
+             - :math:`2p_{3/2}^{-1}`
+           * - ``M1``
+             - :math:`3s^{-1}`
+           * - ``M2``
+             - :math:`3p_{1/2}^{-1}`
+           * - ``M3``
+             - :math:`3p_{3/2}^{-1}`
+           * - ``M4``
+             - :math:`3d_{3/2}^{-1}`
+           * - ``M5``
+             - :math:`3d_{5/2}^{-1}`
+           * - ``N1``
+             - :math:`4s^{-1}`
+           * - ``N2``
+             - :math:`4p_{1/2}^{-1}`
+           * - ``N3``
+             - :math:`4p_{3/2}^{-1}`
+           * - ``N4``
+             - :math:`4d_{3/2}^{-1}`
+           * - ``N5``
+             - :math:`4d_{5/2}^{-1}`
+           * - ``N6``
+             - :math:`4f_{5/2}^{-1}`
+           * - ``N7``
+             - :math:`4f_{7/2}^{-1}`
+           * - ``O1``
+             - :math:`5s^{-1}`
+           * - ``O2``
+             - :math:`5p_{1/2}^{-1}`
+           * - ``O3``
+             - :math:`5p_{3/2}^{-1}`
+           * - ``O4``
+             - :math:`5d_{3/2}^{-1}`
+           * - ``O5``
+             - :math:`5d_{5/2}^{-1}`
+           * - ``O6``
+             - :math:`5f_{5/2}^{-1}`
+           * - ``O7``
+             - :math:`5f_{7/2}^{-1}`
+           * - ``P1``
+             - :math:`6s^{-1}`
+           * - ``P2``
+             - :math:`6p_{1/2}^{-1}`
+           * - ``P3``
+             - :math:`6p_{3/2}^{-1}`
+           * - ``P4``
+             - :math:`6d_{3/2}^{-1}`
+           * - ``P5``
+             - :math:`6d_{5/2}^{-1}`
+
+        .. _IUPAC notation: https://doi.org/10.1002/xrs.1300200308
+    </doc>
+    <enumeration open="true">
+      <item value="K"/>
+      <item value="L1"/>
+      <item value="L2"/>
+      <item value="L3"/>
+      <item value="M1"/>
+      <item value="M2"/>
+      <item value="M3"/>
+      <item value="M4"/>
+      <item value="M5"/>
+      <item value="N1"/>
+      <item value="N2"/>
+      <item value="N3"/>
+      <item value="N4"/>
+      <item value="N5"/>
+      <item value="N6"/>
+      <item value="N7"/>
+      <item value="O1"/>
+      <item value="O2"/>
+      <item value="O3"/>
+      <item value="O4"/>
+      <item value="O5"/>
+      <item value="O6"/>
+      <item value="O7"/>
+      <item value="P1"/>
+      <item value="P2"/>
+      <item value="P3"/>
+      <item value="P4"/>
+      <item value="P5"/>
+    </enumeration>
+  </field>
+  <group name="element" type="NXelement">
+    <doc>
+      The element whose core electron is excited at this absorption edge.
+    </doc>
+  </group>
+</definition>