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Pepe-MarquezPepe-Marquez
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Generated gui artifacts
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‎gui/tests/artifacts.js

+22-17
Original file line numberDiff line numberDiff line change
@@ -3084,16 +3084,16 @@ window.nomadArtifacts = {
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},
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"results.method.measurement.xrd.diffraction_method_name": {
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"name": "diffraction_method_name",
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"description": "The diffraction method used to obtain the diffraction pattern.\n| X-ray Diffraction Method | Description |\n|------------------------------------------------------------|-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------|\n| **Powder X-ray Diffraction (PXRD)** | The term \"powder\" refers more to the random orientation of small crystallites than to the physical form of the sample. Can be used with non-powder samples if they present random crystallite orientations. |\n| **Single Crystal X-ray Diffraction (SCXRD)** | Used for determining the atomic structure of a single crystal. |\n| **High-Resolution X-ray Diffraction (HRXRD)** | A technique typically used for detailed characterization of epitaxial thin films using precise diffraction measurements. |\n| **Small-Angle X-ray Scattering (SAXS)** | Used for studying nanostructures in the size range of 1-100 nm. Provides information on particle size, shape, and distribution. |\n| **X-ray Reflectivity (XRR)** | Used to study thin film layers, interfaces, and multilayers. Provides info on film thickness, density, and roughness. |\n| **Grazing Incidence X-ray Diffraction (GIXRD)** | Primarily used for the analysis of thin films with the incident beam at a fixed shallow angle. |",
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"description": "The diffraction method used to obtain the diffraction pattern.\n| X-Ray Diffraction Method | Description |\n|------------------------------------------------------------|-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------|\n| **Powder X-Ray Diffraction (PXRD)** | The term \"powder\" refers more to the random orientation of small crystallites than to the physical form of the sample. Can be used with non-powder samples if they present random crystallite orientations. |\n| **Single Crystal X-Ray Diffraction (SCXRD)** | Used for determining the atomic structure of a single crystal. |\n| **High-Resolution X-Ray Diffraction (HRXRD)** | A technique typically used for detailed characterization of epitaxial thin films using precise diffraction measurements. |\n| **Small-Angle X-Ray Scattering (SAXS)** | Used for studying nanostructures in the size range of 1-100 nm. Provides information on particle size, shape, and distribution. |\n| **X-Ray Reflectivity (XRR)** | Used to study thin film layers, interfaces, and multilayers. Provides info on film thickness, density, and roughness. |\n| **Grazing Incidence X-Ray Diffraction (GIXRD)** | Primarily used for the analysis of thin films with the incident beam at a fixed shallow angle. |",
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"type": {
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"type_kind": "Enum",
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"type_data": [
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"Powder X-ray Diffraction (PXRD)",
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"Single Crystal X-ray Diffraction (SCXRD)",
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"High-Resolution X-ray Diffraction (HRXRD)",
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"Small-Angle X-ray Scattering (SAXS)",
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"X-ray Reflectivity (XRR)",
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"Grazing Incidence X-ray Diffraction (GIXRD)",
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"Powder X-Ray Diffraction (PXRD)",
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"Single Crystal X-Ray Diffraction (SCXRD)",
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"High-Resolution X-Ray Diffraction (HRXRD)",
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"Small-Angle X-Ray Scattering (SAXS)",
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"X-Ray Reflectivity (XRR)",
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"Grazing Incidence X-Ray Diffraction (GIXRD)",
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"unavailable"
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]
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},
@@ -4441,8 +4441,8 @@ window.nomadArtifacts = {
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"results.properties.structural.diffraction_pattern": {
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"name": "diffraction_pattern",
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"description": "\n Diffraction pattern.\n ",
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"nested": false,
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"repeats": false
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"nested": true,
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"repeats": true
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},
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"results.properties.dynamical": {
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"name": "dynamical",
@@ -16876,16 +16876,16 @@ window.nomadArtifacts = {
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]
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},
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"name": "diffraction_method_name",
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"description": "The diffraction method used to obtain the diffraction pattern.\n| X-ray Diffraction Method | Description |\n|------------------------------------------------------------|-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------|\n| **Powder X-ray Diffraction (PXRD)** | The term \"powder\" refers more to the random orientation of small crystallites than to the physical form of the sample. Can be used with non-powder samples if they present random crystallite orientations. |\n| **Single Crystal X-ray Diffraction (SCXRD)** | Used for determining the atomic structure of a single crystal. |\n| **High-Resolution X-ray Diffraction (HRXRD)** | A technique typically used for detailed characterization of epitaxial thin films using precise diffraction measurements. |\n| **Small-Angle X-ray Scattering (SAXS)** | Used for studying nanostructures in the size range of 1-100 nm. Provides information on particle size, shape, and distribution. |\n| **X-ray Reflectivity (XRR)** | Used to study thin film layers, interfaces, and multilayers. Provides info on film thickness, density, and roughness. |\n| **Grazing Incidence X-ray Diffraction (GIXRD)** | Primarily used for the analysis of thin films with the incident beam at a fixed shallow angle. |",
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"description": "The diffraction method used to obtain the diffraction pattern.\n| X-Ray Diffraction Method | Description |\n|------------------------------------------------------------|-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------|\n| **Powder X-Ray Diffraction (PXRD)** | The term \"powder\" refers more to the random orientation of small crystallites than to the physical form of the sample. Can be used with non-powder samples if they present random crystallite orientations. |\n| **Single Crystal X-Ray Diffraction (SCXRD)** | Used for determining the atomic structure of a single crystal. |\n| **High-Resolution X-Ray Diffraction (HRXRD)** | A technique typically used for detailed characterization of epitaxial thin films using precise diffraction measurements. |\n| **Small-Angle X-Ray Scattering (SAXS)** | Used for studying nanostructures in the size range of 1-100 nm. Provides information on particle size, shape, and distribution. |\n| **X-Ray Reflectivity (XRR)** | Used to study thin film layers, interfaces, and multilayers. Provides info on film thickness, density, and roughness. |\n| **Grazing Incidence X-Ray Diffraction (GIXRD)** | Primarily used for the analysis of thin films with the incident beam at a fixed shallow angle. |",
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"type": {
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"type_kind": "Enum",
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"type_data": [
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"Powder X-ray Diffraction (PXRD)",
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"Single Crystal X-ray Diffraction (SCXRD)",
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"High-Resolution X-ray Diffraction (HRXRD)",
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"Small-Angle X-ray Scattering (SAXS)",
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"X-ray Reflectivity (XRR)",
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"Grazing Incidence X-ray Diffraction (GIXRD)",
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"Powder X-Ray Diffraction (PXRD)",
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"Single Crystal X-Ray Diffraction (SCXRD)",
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"High-Resolution X-Ray Diffraction (HRXRD)",
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"Small-Angle X-Ray Scattering (SAXS)",
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"X-Ray Reflectivity (XRR)",
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"Grazing Incidence X-Ray Diffraction (GIXRD)",
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"unavailable"
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]
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}
@@ -18563,9 +18563,14 @@ window.nomadArtifacts = {
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"m_def": "nomad.metainfo.metainfo.SubSection",
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"m_parent_index": 2,
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"m_parent_sub_section": "sub_sections",
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"m_annotations": {
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"elasticsearch": [
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"diffraction_pattern"
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]
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},
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"name": "diffraction_pattern",
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"sub_section": "/packages/4/section_definitions/56",
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"repeats": false
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"repeats": true
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}
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]
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},

‎nomad/datamodel/results.py

+7-2
Original file line numberDiff line numberDiff line change
@@ -2734,7 +2734,8 @@ class DiffractionPattern(MSection):
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''',
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)
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q_vector = Quantity(
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type=np.dtype(np.float64), shape=['*'],
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type=np.dtype(np.float64),
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shape=['*'],
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unit='meter**(-1)',
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description='The scattering vector *Q*.')
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@@ -2755,7 +2756,11 @@ class StructuralProperties(MSection):
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repeats=True,
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a_elasticsearch=Elasticsearch(material_entry_type, nested=True)
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)
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diffraction_pattern = SubSection(sub_section=DiffractionPattern.m_def, repeats=True)
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diffraction_pattern = SubSection(
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sub_section=DiffractionPattern.m_def,
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repeats=True,
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a_elasticsearch=Elasticsearch(material_entry_type, nested=True)
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)
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class MeanSquaredDisplacement(MDPropertySection):

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