NXchemical_composition.nxdl.xml

<?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) 2014-2024 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 xmlns="http://definition.nexusformat.org/nxdl/3.1" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" category="base" name="NXchemical_composition" extends="NXobject" type="group" xsi:schemaLocation="http://definition.nexusformat.org/nxdl/3.1 ../nxdl.xsd">
    <symbols>
        <doc>
             The symbols used in the schema to specify e.g. dimensions of arrays.
        </doc>
        <symbol name="n">
            <doc>
                 The number of samples or things.
            </doc>
        </symbol>
    </symbols>
    <doc>
         (Chemical) composition of a sample or a set of things.
    </doc>
    <!--molecule descriptor
chemical_formula:
  doc: |
    IUPAC chemical formula-->
    <field name="total" type="NX_NUMBER" units="NX_UNITLESS">
        <doc>
             Total based on which composition information is normalized.
        </doc>
        <dimensions rank="1">
            <dim index="1" value="n"/>
        </dimensions>
    </field>
    <group name="ION" type="NXion">
        <field name="count" type="NX_NUMBER" units="NX_UNITLESS">
            <doc>
                 Count or weight which, when divided by total yields the composition
                 of this element, isotope, molecule or ion.
            </doc>
            <dimensions rank="1">
                <dim index="1" value="n"/>
            </dimensions>
        </field>
        <field name="composition" type="NX_NUMBER" units="NX_DIMENSIONLESS">
            <doc>
                 Count divided by total in atom percent.
            </doc>
            <dimensions rank="1">
                <dim index="1" value="n"/>
            </dimensions>
        </field>
    </group>
</definition>