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contribution for stress-strain analysis
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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) 2008-2022 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="NXstress" extends="NXobject" type="group" category="application" 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"> | ||
| <symbols> | ||
| <symbol name="nX"> | ||
| <doc>Number of diffractogram channels.</doc> | ||
| </symbol> | ||
| <symbol name="nD"> | ||
| <doc>Number of diffractograms. For example the number of energy-dispersive detectors or the number of azimuthal sections in an area detector.</doc> | ||
| </symbol> | ||
| <symbol name="nPeaks"> | ||
| <doc>Number of reflections.</doc> | ||
| </symbol> | ||
| <symbol name="xUnit"> | ||
| <doc>Diffractogram X units.</doc> | ||
| </symbol> | ||
| <symbol name="yUnit"> | ||
| <doc>Diffractogram Y units.</doc> | ||
| </symbol> | ||
| </symbols> | ||
| <doc> | ||
| Application definition for stress and strain analysis of crystalline material defined by the EASI-STRESS consortium (https://easi-stress.eu). | ||
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| When a crystal is loaded (applied or residual stress) its crystallographic parameters change. | ||
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| Stress and strain analysis calculates deformation (strain) and the associated force (stress) | ||
| from diffraction data. | ||
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| This application definition essentially standardizes the result of diffraction pattern analysis | ||
| from different types of diffraction experiments for the purpose of stress and strain analysis. | ||
| The analysis is typically some form of diffraction peak indexing and fitting. | ||
| The experiments are for example | ||
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| - energy-dispersive X-ray powder diffraction | ||
| - angular-dispersive X-ray powder diffraction | ||
| - angular-dispersive neutron powder diffraction. | ||
| </doc> | ||
| <group type="NXentry"> | ||
|
|
||
| <field name="definition" type="NX_CHAR"> | ||
| <doc> Official NeXus NXDL schema to which this file conforms </doc> | ||
| <enumeration> | ||
| <item value="NXstress" /> | ||
| </enumeration> | ||
| </field> | ||
|
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| <field name="title" optional="true"> | ||
| <doc>Extended title for the entry.</doc> | ||
| </field> | ||
| <field name="experiment_identifier" recommended="true"> | ||
| <doc> | ||
| Unique identifier for the experiment, | ||
| defined by the facility, | ||
| possibly linked to the proposals. | ||
| </doc> | ||
| </field> | ||
| <field name="experiment_description" optional="true"> | ||
| <doc>Brief summary of the experiment, including key objectives.</doc> | ||
| </field> | ||
| <field name="collection_identifier" optional="true"> | ||
| <doc>User or Data Acquisition defined group of data.</doc> | ||
| </field> | ||
| <field name="collection_description" optional="true"> | ||
| <doc>Brief summary of the collection, including grouping criteria.</doc> | ||
| </field> | ||
| <field name="entry_identifier" optional="true"> | ||
| <doc>Unique identifier for the measurement, defined by the facility.</doc> | ||
| </field> | ||
|
|
||
| <group type="NXinstrument"> | ||
| <field name="name"> | ||
| <doc>Name of the instrument.</doc> | ||
| <attribute name="short_name" optional="true"> | ||
| <doc>Short name for the instrument, perhaps the acronym.</doc> | ||
| </attribute> | ||
| </field> | ||
| <group type="NXdetector" minOccurs="0" maxOccurs="unbounded"> | ||
| <doc>Zero or more of these groups describe the detectors used in the experiment.</doc> | ||
| <field name="description"> | ||
| <doc>name/manufacturer/model/etc. information</doc> | ||
| </field> | ||
| </group> | ||
| </group> | ||
|
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| <group name="peaks" type="NXdata"> | ||
| <doc>This group contains all diffraction peak parameters derived from diffractogram fitting and additional metadata.</doc> | ||
|
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| <field name="h" type="NX_INT" units="NX_UNITLESS"> | ||
| <doc>First Miller index.</doc> | ||
| <dimensions rank="1"> | ||
| <dim index="1" value="nPeaks" /> | ||
| </dimensions> | ||
| </field> | ||
| <field name="k" type="NX_INT" units="NX_UNITLESS"> | ||
| <doc>Second Miller index.</doc> | ||
| <dimensions rank="1"> | ||
| <dim index="1" value="nPeaks" /> | ||
| </dimensions> | ||
| </field> | ||
| <field name="l" type="NX_INT" units="NX_UNITLESS"> | ||
| <doc>Third Miller index.</doc> | ||
| <dimensions rank="1"> | ||
| <dim index="1" value="nPeaks" /> | ||
| </dimensions> | ||
| </field> | ||
|
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| <field name="qx" type="NX_NUMBER" units="NX_WAVENUMBER"> | ||
| <doc>First component of the scattering vector Q.</doc> | ||
| <dimensions rank="1"> | ||
| <dim index="1" value="nPeaks" /> | ||
| </dimensions> | ||
| </field> | ||
| <field name="qy" type="NX_NUMBER" units="NX_WAVENUMBER"> | ||
| <doc>Second component of the scattering vector Q.</doc> | ||
| <dimensions rank="1"> | ||
| <dim index="1" value="nPeaks" /> | ||
| </dimensions> | ||
| </field> | ||
| <field name="qz" type="NX_NUMBER" units="NX_WAVENUMBER"> | ||
| <doc>Third component of the scattering vector Q.</doc> | ||
| <dimensions rank="1"> | ||
| <dim index="1" value="nPeaks" /> | ||
| </dimensions> | ||
| </field> | ||
|
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| <field name="profile" type="NX_CHAR"> | ||
| <doc>Diffraction peak profile.</doc> | ||
| <enumeration> | ||
| <item value="gaussian" /> | ||
| <item value="lorentzian" /> | ||
| <item value="voigt" /> | ||
| <item value="pseudo-voigt" /> | ||
| <item value="split pseudo-voigt" /> | ||
| <item value="pearson VII" /> | ||
| </enumeration> | ||
| </field> | ||
|
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| <field name="center" type="NX_NUMBER" units="xUnit"> | ||
| <doc>Diffraction peak position.</doc> | ||
| <dimensions rank="1"> | ||
| <dim index="1" value="nPeaks" /> | ||
| </dimensions> | ||
| </field> | ||
| <field name="area" type="NX_NUMBER" units="yUnit"> | ||
| <doc>Diffraction peak area.</doc> | ||
| <dimensions rank="1"> | ||
| <dim index="1" value="nPeaks" /> | ||
| </dimensions> | ||
| </field> | ||
|
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| <field name="height" type="NX_NUMBER" units="yUnit"> | ||
| <doc>Diffraction peak height.</doc> | ||
| <dimensions rank="1"> | ||
| <dim index="1" value="nPeaks" /> | ||
| </dimensions> | ||
| </field> | ||
| <field name="fwhm" type="NX_NUMBER" units="xUnit"> | ||
| <doc>Diffraction peak full width at half maximum.</doc> | ||
| <dimensions rank="1"> | ||
| <dim index="1" value="nPeaks" /> | ||
| </dimensions> | ||
| </field> | ||
|
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| <field name="fwhm_left" type="NX_NUMBER" optional="true" units="xUnit"> | ||
| <doc>Left-side FWHM for split profiles.</doc> | ||
| <dimensions rank="1"> | ||
| <dim index="1" value="nPeaks" /> | ||
| </dimensions> | ||
| </field> | ||
| <field name="fwhm_right" type="NX_NUMBER" optional="true" units="xUnit"> | ||
| <doc>Right-side FWHM for split profiles.</doc> | ||
| <dimensions rank="1"> | ||
| <dim index="1" value="nPeaks" /> | ||
| </dimensions> | ||
| </field> | ||
| <field name="form_factor" type="NX_NUMBER" optional="true" units="NX_DIMENSIONLESS"> | ||
| <doc> | ||
| - Voigt or Pseudo-Voigt: Lorentzian fraction | ||
| - Pearson VII: decay parameter | ||
| - Other profiles: not applicable | ||
| </doc> | ||
| <dimensions rank="1"> | ||
| <dim index="1" value="nPeaks" /> | ||
| </dimensions> | ||
| </field> | ||
|
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| <field name="background_profile" type="NX_CHAR" optional="true"> | ||
| <doc> | ||
| Diffraction background profile. Required when background parameters fields are present. | ||
| For example: ``linear``, ``5-degree polynomial`` | ||
| </doc> | ||
| </field> | ||
| <field name="A" nameType="any" type="NX_NUMBER" units="NX_DIMENSIONLESS" minOccurs="0" maxOccurs="unbounded"> | ||
| <doc>Background parameter(s). For example a second-degree polynomial will have fields ``A0``, ``A1`` and ``A2``.</doc> | ||
| <dimensions rank="1"> | ||
| <dim index="1" value="nPeaks" /> | ||
| </dimensions> | ||
| </field> | ||
| <field name="background_area" type="NX_NUMBER" units="yUnit" optional="true"> | ||
| <doc>The background area integrated over a confidence interval around the center (*0.95* by default).</doc> | ||
| <dimensions rank="1"> | ||
| <dim index="1" value="nPeaks" /> | ||
| </dimensions> | ||
| </field> | ||
| <field name="background_area_interval" type="NX_DIMENSIONLESS" optional="true"> | ||
| <doc>Confidence interval from which the background counts are integrated. For example *0.95* means that the background is integrated over the range in which the integrated peak area is 95% of the total peak area.</doc> | ||
| </field> | ||
|
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| </group> | ||
|
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| <group name="diffractogram" type="NXdata" optional="true"> | ||
| <doc>This group contains the result of a diffractogram fit when the `/NXstress/ENTRY/peaks-group`_ is derived from a powder diffraction experiment.</doc> | ||
| <attribute name="axes"> | ||
| <doc>List of the two axes field names to be used by default.</doc> | ||
| </attribute> | ||
|
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| <field name="DAXIS" nameType="any" minOccurs="0" maxOccurs="unbounded"> | ||
| <doc>One or more fields that contain the values for the **nD** dimension. For example the azimuthal positions of different energy-dispersive detectors or the average azimuth of different azimuthal sections on an area detector.</doc> | ||
| <dimensions rank="1"> | ||
| <dim index="1" value="nD" /> | ||
| </dimensions> | ||
| </field> | ||
|
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| <field name="XAXIS" nameType="any" type="NX_NUMBER" units="xUnit" minOccurs="1" maxOccurs="unbounded"> | ||
| <doc>One or more fields that contain the values for the **nX** dimension. For example: MCA channels, scattering angle \ :math:`2\theta` in degrees, scattering vector length q in \ :math:`\mathrm{nm}^{-1}`, ...</doc> | ||
| <dimensions rank="1"> | ||
| <dim index="1" value="nX" /> | ||
| </dimensions> | ||
| </field> | ||
|
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| <attribute name="signal"> | ||
| <doc>Default field name to be plotted.</doc> | ||
| <enumeration> | ||
| <item value="data" /> | ||
| </enumeration> | ||
| </attribute> | ||
|
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| <attribute name="auxiliary_signals"> | ||
| <doc>List of additional field names to be plotted.</doc> | ||
| </attribute> | ||
|
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| <field name="diffractogram" type="NX_NUMBER" units="yUnit"> | ||
| <doc>Diffractogram counts (default signal)</doc> | ||
| <dimensions rank="2"> | ||
| <dim index="1" value="nD" /> | ||
| <dim index="2" value="nX" /> | ||
| </dimensions> | ||
| <attribute name="interpretation" type="NX_CHAR"> | ||
| <enumeration> | ||
| <item value="spectrum" /> | ||
| </enumeration> | ||
| </attribute> | ||
| </field> | ||
| <field name="fit" type="NX_NUMBER"> | ||
| <doc>Diffractogram fit counts (auxiliary signal).</doc> | ||
| <dimensions rank="2"> | ||
| <dim index="1" value="nD" /> | ||
| <dim index="2" value="nX" /> | ||
| </dimensions> | ||
| <attribute name="interpretation" type="NX_CHAR"> | ||
| <enumeration> | ||
| <item value="spectrum" /> | ||
| </enumeration> | ||
| </attribute> | ||
| </field> | ||
| <field name="background" type="NX_NUMBER" minOccurs="0"> | ||
| <doc>Diffractogram background counts (auxiliary signal).</doc> | ||
| <dimensions rank="2"> | ||
| <dim index="1" value="nD" /> | ||
| <dim index="2" value="nX" /> | ||
| </dimensions> | ||
| <attribute name="interpretation" type="NX_CHAR"> | ||
| <enumeration> | ||
| <item value="spectrum" /> | ||
| </enumeration> | ||
| </attribute> | ||
| </field> | ||
| <field name="residuals" type="NX_NUMBER" minOccurs="0"> | ||
| <doc>Difference between diffractogram and fit (auxiliary signal).</doc> | ||
| <dimensions rank="2"> | ||
| <dim index="1" value="nD" /> | ||
| <dim index="2" value="nX" /> | ||
| </dimensions> | ||
| <attribute name="interpretation" type="NX_CHAR"> | ||
| <enumeration> | ||
| <item value="spectrum" /> | ||
| </enumeration> | ||
| </attribute> | ||
| </field> | ||
| </group> | ||
|
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| </group> | ||
| </definition> |