diff --git a/docs/examples/experiment_data/apm.md b/docs/examples/experiment_data/apm.md
new file mode 100644
index 0000000000000000000000000000000000000000..dd74e3db790b53c9e96a7f568e5f472c239bf11f
--- /dev/null
+++ b/docs/examples/experiment_data/apm.md
@@ -0,0 +1,42 @@
+# Domain-specific examples for atom probe tomography and field ion microscopy
+
+!!! warning "Attention"
+ We are currently working to update this content.
+
+Build upon your understanding of NOMAD's features with domain-specific examples and explanations.
+
+### Contextualization for the technique and the scientific domain
+A variety of file formats are used in the research field of [atom probe tomography](https://www.nature.com/articles/s43586-021-00047-w) to document atom probe measurements and computer simulations. The pynxtools-apm plugin of the pynxtools parsing library solves the challenge of how these formats can be parsed and normalized into a common representation that increases interoperability and adds semantic expressiveness.
+
+- [pynxtools-apm](https://fairmat-nfdi.github.io/pynxtools-apm/)
+
+The plugin uses the [ifes_apt_tc_data_modeling Python library](https://github.com/atomprobe-tc/ifes_apt_tc_data_modeling) that is developed together with the [International Field Emission Society](https://fieldemission.org/).
+
+### Work with standardized atom probe data in NOMAD and NORTH
+Once standardized, NXapm-compliant data in NOMAD can be explored with domain-specific software tools using a convenient JupyterHub-based service offered by the NOMAD Remote Tools Hub (NORTH).
+
+For this you should go to `Analyze` (menu bar) and select `NOMAD Remote Tools Hub`.
+If you are using the public Oasis the hub [is available here](https://nomad-lab.eu/prod/v1/gui/analyze/north). This service and toolset of NOMAD offers a set of preconfigured containers. We have configured the `apmtools` container to provide you an example
+of the capabilities that come with such customizable containers interfaced to an Oasis.
+Mind that if you are using a local Oasis the hub may not have been activated and that
+specific containers need to be pull from the container registry as they are not part of
+a default Oasis development installation.
+
+Currently, `apmtools` is a specific docker container that offers a graphical user interface
+through the web browser that serves your NOMAD GUI. The container includes three data analysis tools:
+- [aptyzer](https://github.com/areichm/APTyzer) by Alexander Reichmann et al.
+- [paraprobe-toolbox](https://gitlab.com/paraprobe/paraprobe-toolbox) by Markus Kühbach et al.
+- [apav](https://gitlab.com/jesseds/apav) by Jesse Smith et al.
+
+The container is configured such that the data in your uploads are available via the
+`/config/uploads` sub-directory from within the container. Thereby, you can move data
+in between the container. The connection between the container image and NOMAD allows
+you to enrich your upload with specific post-processing results generated by any of
+the tools in the container.
+The paraprobe-toolbox exemplifies how NeXus can be used to document the specific settings
+and results of such processing via an open standard and documentation.
+
+The `apmtools` container comes with a collection of getting started tutorials
+via a `Cheatsheet` jupyter notebook which you can access from the `/home/atom_probe_tools`
+sub-directory. Details dependent on the specific configuration of your NOMAD OASIS.
+
diff --git a/docs/examples/experiment_data/em.md b/docs/examples/experiment_data/em.md
new file mode 100644
index 0000000000000000000000000000000000000000..78e42816f6b45f56e2b0e22ba8b561cd54657eb4
--- /dev/null
+++ b/docs/examples/experiment_data/em.md
@@ -0,0 +1,11 @@
+# Domain-specific examples for electron microscopy
+
+!!! warning "Attention"
+ We are currently working to update this content.
+
+Build upon your understanding of NOMAD's features with domain-specific examples and explanations.
+
+<!--- ### Contextualization for the technique and the scientific domain TODO-->
+
+- [pynxtools-em](https://fairmat-nfdi.github.io/pynxtools-em/)
+
diff --git a/docs/examples/experiment_data/mpes.md b/docs/examples/experiment_data/mpes.md
new file mode 100644
index 0000000000000000000000000000000000000000..f7cf25203ef7458d0014b23019db8770b8c34a9c
--- /dev/null
+++ b/docs/examples/experiment_data/mpes.md
@@ -0,0 +1,11 @@
+# Domain-specific examples for photoemission spectroscopy
+
+!!! warning "Attention"
+ We are currently working to update this content.
+
+Build upon your understanding of NOMAD's features with domain-specific examples and explanations.
+
+<!--- ### Contextualization for the technique and the scientific domain TODO-->
+
+<!--- - [pynxtools-mpes](https://fairmat-nfdi.github.io/pynxtools-mpes/)-->
+
diff --git a/docs/examples/experiment_data/nexus.md b/docs/examples/experiment_data/nexus.md
new file mode 100644
index 0000000000000000000000000000000000000000..bd5a61866d20fb475f1a8e7b7175b114ff1be6df
--- /dev/null
+++ b/docs/examples/experiment_data/nexus.md
@@ -0,0 +1,13 @@
+# Standardized ingestion of data from materials characterization using NeXus
+
+!!! warning "Attention"
+ We are currently working to update this content.
+
+Build upon your understanding of NOMAD's features with domain-specific examples and explanations.
+
+<!--- ### Contextualization for NeXus, the technique and the scientific domain TODO-->
+
+- [FAIRmat NeXus extension proposal](https://fairmat-nfdi.github.io/nexus_definitions/)
+- [NeXusOntology](https://github.com/FAIRmat-NFDI/NeXusOntology/)
+- [NeXus](https://www.nexusformat.org/)
+
diff --git a/docs/examples/experiment_data/opt.md b/docs/examples/experiment_data/opt.md
new file mode 100644
index 0000000000000000000000000000000000000000..e60302024a468522a8e40793576781a0c738b321
--- /dev/null
+++ b/docs/examples/experiment_data/opt.md
@@ -0,0 +1,11 @@
+# Domain-specific examples for optical spectroscopy
+
+!!! warning "Attention"
+ We are currently working to update this content.
+
+Build upon your understanding of NOMAD's features with domain-specific examples and explanations.
+
+<!--- ### Contextualization for the technique and the scientific domain TODO-->
+
+- [pynxtools-ellips](https://fairmat-nfdi.github.io/pynxtools-ellips/)
+
diff --git a/docs/examples/experiment_data/pynxtools.md b/docs/examples/experiment_data/pynxtools.md
new file mode 100644
index 0000000000000000000000000000000000000000..030bcac09722668a79dc9bb695c9ca4933583836
--- /dev/null
+++ b/docs/examples/experiment_data/pynxtools.md
@@ -0,0 +1,10 @@
+# Parse materials characterization data with pynxtools
+
+!!! warning "Attention"
+ We are currently working to update this content.
+
+Build upon your understanding of NOMAD's features with domain-specific examples and explanations.
+
+<!--- ### Contextualization for pynxtools and its plugins-->
+
+- [pynxtools](https://fairmat-nfdi.github.io/pynxtools/)
diff --git a/docs/examples/experiment_data/sts.md b/docs/examples/experiment_data/sts.md
new file mode 100644
index 0000000000000000000000000000000000000000..8fc871f69075fdd6e838f28a13d5cc089c3dd1bb
--- /dev/null
+++ b/docs/examples/experiment_data/sts.md
@@ -0,0 +1,22 @@
+# Domain-specific examples for STS / STM (scanning tunneling spectroscopy / microscopy)
+
+
+Build upon your understanding of NOMAD's features with domain-specific examples and explanations.
+
+### Contextualization for the technique and the scientific domain
+A variety of file formats (coming technology instrumens) are used in the research field of scanning tunneling microscopy (STM) and scanning tunneling spectroscopy (STS) to investigate topological propertise of surface of subjected material. The [pynxtools-stm](https://github.com/FAIRmat-NFDI/pynxtools-stm) plugin (note: The single plugin handles both STM as well STS techniques) of the [pynxtools](https://github.com/FAIRmat-NFDI/pynxtools) parsing library solves the challenges of how these formats can be parsed and normalized into a common representation that increases interoperability and adds semantic expressiveness.
+
+The [pynxtools-stm](https://fairmat-nfdi.github.io/pynxtools-stm/) provides a indispensable tool to transfor the STM as well as STS experimental data (sometime refered as raw data or machine data) to common standarized structure defined in [NXsts](https://fairmat-nfdi.github.io/nexus_definitions/classes/contributed_definitions/NXsts.html#nxsts) ([GitHub page](https://github.com/FAIRmat-NFDI/nexus_definitions/blob/fairmat/contributed_definitions/NXsts.nxdl.xml)) application definition build with the help of [NeXus ontology](https://www.nexusformat.org/) ([GitHub page](https://github.com/FAIRmat-NFDI/nexus_definitions/tree/fairmat)). One of the main goals of such effort is to make the data comming from diverse sources comparable, searchable and shearable under the hood of NONAD research data management platform.
+
+For full benefits and usages of the reader please following links:
+
+- [Full Reader Documentation](https://fairmat-nfdi.github.io/pynxtools-stm/)
+- [GitHub Repository](https://github.com/FAIRmat-NFDI/pynxtools-stm)
+- [Issue Tracker](https://github.com/FAIRmat-NFDI/pynxtools-stm/issues)
+
+
+## How to upload XPS data to NOMAD
+Documentation on how to upload STM / STS data sets from different sources can be found [here](https://fairmat-nfdi.github.io/pynxtools-sts/tutorials/nomad-tutorial.html)
+
+## Supported file formats
+A list of the supported file formats can be found in the `pynxtools-stm` [documentation](https://fairmat-nfdi.github.io/pynxtools-stm/).
diff --git a/docs/examples/experiment_data/xps.md b/docs/examples/experiment_data/xps.md
index 6c9310bbe938a535f5abfbab0bc3c200797c7c51..658f5bb216d8767cb5be8b8b0981b170679f00ef 100644
--- a/docs/examples/experiment_data/xps.md
+++ b/docs/examples/experiment_data/xps.md
@@ -1,14 +1,19 @@
-# Domain-specific examples for X-ray photoelectron spectroscopy
-
-!!! warning "Attention"
- We are currently working to update this content.
-
-## Contextualization for the technique and the scientific domain
-A variety of file formats are used in the research field of X-ray photoelectron spectroscopy and related techniques. The pynxtools-xps plugin of the pynxtools parsing library solves the challenge of how these formats can be parsed and normalized into a common representation that increases interoperability and adds semantic expressiveness.
-- [pynxtools-xps](https://fairmat-nfdi.github.io/pynxtools-xps/)
-
-
-pynxtools-xps, which is a plugin for [pynxtools](https://github.com/FAIRmat-NFDI/pynxtools), provides a tool for reading data from various propietary and open data formats from technology partners and the wider XPS community and standardizing it such that it is compliant with the [NeXus](https://www.nexusformat.org/) application definition [`NXmpes`](https://fairmat-nfdi.github.io/nexus_definitions/classes/contributed_definitions/NXmpes.html)
-
-## Supported file formats
-A list of the supported file formats can be found in the [pynxtools-xps](https://fairmat-nfdi.github.io/pynxtools-xps/) documentation.
\ No newline at end of file
+# Domain-specific examples for X-ray photoelectron spectroscopy
+
+!!! warning "Attention"
+ We are currently working to update this content.
+
+## Contextualization for the technique and the scientific domain
+A variety of file formats are used in the research field of X-ray photoelectron spectroscopy and related techniques. The `pynxtools-xps` plugin of the `pynxtools` parsing library solves the challenge of how these formats can be parsed and normalized into a common representation that increases interoperability and adds semantic expressiveness.
+
+`pynxtools-xps`, which is a plugin for [pynxtools](https://github.com/FAIRmat-NFDI/pynxtools), provides a tool for reading data from various propietary and open data formats from technology partners and the wider XPS community and standardizing it such that it is compliant with the [NeXus](https://www.nexusformat.org/) application definitions [`NXmpes`](https://fairmat-nfdi.github.io/nexus_definitions/classes/contributed_definitions/NXmpes.html) and [`NXxps`](https://fairmat-nfdi.github.io/nexus_definitions/classes/contributed_definitions/NXxps.html), which is an extension of `NXmpes`.
+
+- [Documentation](https://fairmat-nfdi.github.io/pynxtools-xps/)
+- [GitHub repository](https://github.com/FAIRmat-NFDI/pynxtools-xps/)
+- [Issue tracker](https://github.com/FAIRmat-NFDI/pynxtools-xps/issues/)
+
+## How to upload XPS data to NOMAD
+Documentation on how to upload XPS data sets from different sources can be found [here](https://fairmat-nfdi.github.io/pynxtools-xps/tutorial/nomad.html)
+
+## Supported file formats
+A list of the supported file formats can be found in the `pynxtools-xps` [documentation](https://fairmat-nfdi.github.io/pynxtools-xps/).
diff --git a/docs/examples/overview.md b/docs/examples/overview.md
index 53c3411e515d887f414fdc856bded9be971ad987..7b181a9816170b14d3044ef731d5c7ca1e565f6f 100644
--- a/docs/examples/overview.md
+++ b/docs/examples/overview.md
@@ -1,69 +1,52 @@
-# NOMAD Domain-specific Examples
-
-Build upon your understanding of NOMAD's features with domain-specific examples and explanations.
-
-<div markdown="block" class="home-grid">
-<div markdown="block">
-
-### Computational data
-
-Historically a repository for Density Functional Theory calculations, NOMAD now supports a wide range of computational methodologies including advanced many-body calculations and classical molecular dynamics simulations, as well as complex simulation workflows.
-
-- [Quick Start: Uploading computational data](./computational_data/uploading.md)
-- [Standard and custom computational workflows](./computational_data/workflows.md)
-- [Guide to computational MetaInfo](./computational_data/metainfo.md)
-- [Guide to computational schema plugins](./computational_data/schema_plugins.md)
-- [Guide to computational parser plugins](./computational_data/parser_plugins.md)
-- H5MD: Uploading custom molecular dynamics data
- - [How-to](./computational_data/h5md_howto.md)
- - [Explanation](./computational_data/h5md_expl.md)
- - [Reference](./computational_data/h5md_ref.md)
-<!--
-#### subcategory 1
-- links...
-#### subcategory 2
-- links... -->
-
-</div>
-<div markdown="block">
-
-### Category 2
-
-More categories coming soon...
-<!--
-#### subcategory 1
-- links...
-#### subcategory 2
-- links... -->
-
-</div>
-
-<div markdown="block">
-
-<!-- ### Category 3
-
-description...
-
-#### subcategory 1
-- links...
-#### subcategory 2
-- links...
-
-</div>
-<div markdown="block">
-
-### Category 4
-
-description...
-
-#### subcategory 1
-- links...
-#### subcategory 2
-- links... -->
-
-</div>
-</div>
-
-<h2>One last thing</h2>
-
-If you can't find what you're looking for in our guides, [contact our friendly team](mailto:support@nomad-lab.eu) for personalized help and assistance. Don't worry, we're here to help and learn what we're doing wrong!
\ No newline at end of file
+# NOMAD Domain-specific Examples
+
+Build upon your understanding of NOMAD's features with domain-specific examples and explanations.
+
+<div markdown="block" class="home-grid">
+<div markdown="block">
+
+### Computational data
+
+Historically a repository for Density Functional Theory calculations, NOMAD now supports a wide range of computational methodologies including advanced many-body calculations and classical molecular dynamics simulations, as well as complex simulation workflows.
+
+- [Quick Start: Uploading computational data](./computational_data/uploading.md)
+- [Standard and custom computational workflows](./computational_data/workflows.md)
+- [Guide to computational MetaInfo](./computational_data/metainfo.md)
+- [Guide to computational schema plugins](./computational_data/schema_plugins.md)
+- [Guide to computational parser plugins](./computational_data/parser_plugins.md)
+- H5MD: Uploading custom molecular dynamics data
+ - [How-to](./computational_data/h5md_howto.md)
+ - [Explanation](./computational_data/h5md_expl.md)
+ - [Reference](./computational_data/h5md_ref.md)
+<!--
+#### subcategory 1
+- links...
+#### subcategory 2
+- links... -->
+
+</div>
+<div markdown="block">
+
+### Experimental data
+
+Thanks to key activities of the FAIRmat project, NOMAD also supports a set of parsing capabilities for standardizing data from materials characterization experiments.
+
+- [NeXus](./experiment_data/nexus.md)
+- [Guide to the pynxtools parser library](./experiment_data/pynxtools.md)
+- [Electron microscopy](./experiment_data/em.md)
+- [Photoemission spectroscopy](./experiment_data/mpes.md)
+- [X-ray photoemission spectroscopy](./experiment_data/xps.md)
+- [Optical spectroscopy](./experiment_data/opt.md)
+- [Atom probe tomography](./experiment_data/apm.md)
+- [Scanning tunneling spectroscopy](./experiment_data/sts.md)
+
+</div>
+
+<div markdown="block">
+
+</div>
+</div>
+
+<h2>One last thing</h2>
+
+If you can't find what you're looking for in our guides, [contact our friendly team](mailto:support@nomad-lab.eu) for personalized help and assistance. Don't worry, we're here to help and learn what we're doing wrong!
diff --git a/gui/tests/env.js b/gui/tests/env.js
index 9941d2c1f5384bf31d29767c463111922148c7e0..0c8ccdb22158d65df1c719988df6775ca85ee7f8 100644
--- a/gui/tests/env.js
+++ b/gui/tests/env.js
@@ -3091,30 +3091,109 @@ window.nomadEnv = {
"name": "simulationworkflowschema",
"description": "This is a collection of schemas for various types of simulation workflows.\n"
},
- "nomad_porous_materials.apps:mofapp": {
- "id": "nomad_porous_materials.apps:mofapp",
+ "perovskite_solar_cell_database:perovskite_solar_cell": {
+ "id": "perovskite_solar_cell_database:perovskite_solar_cell",
+ "entry_point_type": "schema_package",
+ "name": "PerovskiteSolarCell",
+ "description": "Schema package defined for the perovskite solar cells database.",
+ "plugin_package": "perovskite_solar_cell_database"
+ },
+ "perovskite_solar_cell_database.apps:solar_cells": {
+ "id": "perovskite_solar_cell_database.apps:solar_cells",
"entry_point_type": "app",
- "name": "MOF",
- "description": "App defined using the new plugin mechanism.",
- "plugin_package": "nomad_porous_materials",
+ "name": "Solar Cells",
+ "description": "\n This app allows you to search **solar cell data** within NOMAD. The filter\n menu on the left and the shown default columns are specifically designed\n for solar cell exploration. The dashboard directly shows useful\n interactive statistics about the data.\n ",
+ "plugin_package": "perovskite_solar_cell_database",
"app": {
- "label": "Metal-Organic Frameworks",
- "path": "mofs",
+ "label": "Solar Cells",
+ "path": "solarcells",
"resource": "entries",
"category": "Use Cases",
- "description": "Search metal-organic frameworks (MOFs)",
- "readme": "\n This page allows you to search **metal-organic framework\n (MOF) data** within NOMAD. The filter menu on the left\n and the shown default columns are specifically designed\n for MOF exploration. The dashboard directly shows useful\n interactive statistics about the data.",
+ "description": "Search solar cells",
+ "readme": "This page allows you to search **solar cell data** within NOMAD. The filter menu on the left and the shown default columns are specifically designed for solar cell exploration. The dashboard directly shows useful interactive statistics about the data.",
"pagination": {
- "order_by": "upload_create_time",
+ "order_by": "results.properties.optoelectronic.solar_cell.efficiency",
"order": "desc",
"page_size": 20
},
"columns": {
"options": {
- "results.material.chemical_formula_iupac": {
+ "results.material.chemical_formula_descriptive": {
+ "label": "Descriptive formula",
+ "align": "left"
+ },
+ "results.properties.optoelectronic.solar_cell.efficiency": {
+ "label": "Efficiency (%)",
+ "align": "left",
+ "format": {
+ "decimals": 2,
+ "mode": "standard"
+ }
+ },
+ "results.properties.optoelectronic.solar_cell.open_circuit_voltage": {
+ "align": "left",
+ "unit": "V",
+ "format": {
+ "decimals": 3,
+ "mode": "standard"
+ }
+ },
+ "results.properties.optoelectronic.solar_cell.short_circuit_current_density": {
+ "align": "left",
+ "unit": "A/m**2",
+ "format": {
+ "decimals": 3,
+ "mode": "standard"
+ }
+ },
+ "results.properties.optoelectronic.solar_cell.fill_factor": {
+ "align": "left",
+ "format": {
+ "decimals": 3,
+ "mode": "standard"
+ }
+ },
+ "references": {
+ "align": "left"
+ },
+ "results.material.chemical_formula_hill": {
"label": "Formula",
"align": "left"
},
+ "results.material.structural_type": {
+ "align": "left"
+ },
+ "results.properties.optoelectronic.solar_cell.illumination_intensity": {
+ "label": "Illum. intensity",
+ "align": "left",
+ "unit": "W/m**2",
+ "format": {
+ "decimals": 3,
+ "mode": "standard"
+ }
+ },
+ "results.eln.lab_ids": {
+ "align": "left"
+ },
+ "results.eln.sections": {
+ "align": "left"
+ },
+ "results.eln.methods": {
+ "align": "left"
+ },
+ "results.eln.tags": {
+ "align": "left"
+ },
+ "results.eln.instruments": {
+ "align": "left"
+ },
+ "entry_name": {
+ "label": "Name",
+ "align": "left"
+ },
+ "entry_type": {
+ "align": "left"
+ },
"mainfile": {
"align": "left"
},
@@ -3137,9 +3216,12 @@ window.nomadEnv = {
}
},
"selected": [
- "results.material.chemical_formula_iupac",
- "mainfile",
- "authors"
+ "results.material.chemical_formula_descriptive",
+ "results.properties.optoelectronic.solar_cell.efficiency",
+ "results.properties.optoelectronic.solar_cell.open_circuit_voltage",
+ "results.properties.optoelectronic.solar_cell.short_circuit_current_density",
+ "results.properties.optoelectronic.solar_cell.fill_factor",
+ "references"
]
},
"rows": {
@@ -3156,7 +3238,7 @@ window.nomadEnv = {
"filter_menus": {
"options": {
"material": {
- "label": "Material",
+ "label": "Absorber Material",
"level": 0,
"size": "s"
},
@@ -3166,7 +3248,7 @@ window.nomadEnv = {
"size": "xl"
},
"structure": {
- "label": "Structure",
+ "label": "Structure / Symmetry",
"level": 1,
"size": "s"
},
@@ -3175,6 +3257,21 @@ window.nomadEnv = {
"level": 0,
"size": "s"
},
+ "solarcell": {
+ "label": "Solar Cell Properties",
+ "level": 0,
+ "size": "s"
+ },
+ "eln": {
+ "label": "Electronic Lab Notebook",
+ "level": 0,
+ "size": "s"
+ },
+ "custom_quantities": {
+ "label": "User Defined Quantities",
+ "level": 0,
+ "size": "l"
+ },
"author": {
"label": "Author / Origin / Dataset",
"level": 0,
@@ -3193,6 +3290,9 @@ window.nomadEnv = {
}
},
"filters": {
+ "include": [
+ "*#perovskite_solar_cell_database.schema.PerovskiteSolarCell"
+ ],
"exclude": [
"mainfile",
"entry_name",
@@ -3205,310 +3305,469 @@ window.nomadEnv = {
"type": "periodictable",
"layout": {
"lg": {
- "h": 9,
- "w": 15,
+ "h": 8,
+ "w": 12,
"x": 0,
"y": 0,
- "minH": 3,
- "minW": 3
+ "minH": 8,
+ "minW": 12
},
"md": {
"h": 8,
- "w": 11,
+ "w": 12,
"x": 0,
"y": 0,
- "minH": 3,
- "minW": 3
+ "minH": 8,
+ "minW": 12
},
"sm": {
- "h": 6,
- "w": 9,
+ "h": 8,
+ "w": 12,
"x": 0,
- "y": 0,
- "minH": 3,
- "minW": 3
+ "y": 16,
+ "minH": 8,
+ "minW": 12
},
"xl": {
- "h": 9,
- "w": 19,
+ "h": 8,
+ "w": 12,
"x": 0,
"y": 0,
- "minH": 3,
- "minW": 3
+ "minH": 8,
+ "minW": 12
},
"xxl": {
- "h": 10,
- "w": 25,
+ "h": 8,
+ "w": 13,
"x": 0,
"y": 0,
- "minH": 3,
- "minW": 3
+ "minH": 8,
+ "minW": 12
}
},
"quantity": "results.material.elements",
"scale": "linear"
},
{
- "title": "SBU type",
- "type": "terms",
+ "type": "scatterplot",
"layout": {
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- "minW": 3
- },
- "md": {
- "h": 3,
- "w": 8,
- "x": 10,
- "y": 17,
+ "h": 8,
+ "w": 7,
+ "x": 11,
+ "y": 0,
"minH": 3,
"minW": 3
- },
- "sm": {
- "h": 3,
- "w": 8,
- "x": 4,
- "y": 13,
+ },
+ "sm": {
+ "h": 6,
+ "w": 3,
+ "x": 9,
+ "y": 0,
"minH": 3,
"minW": 3
},
"xl": {
- "h": 3,
- "w": 8,
- "x": 0,
- "y": 11,
+ "h": 9,
+ "w": 11,
+ "x": 19,
+ "y": 0,
"minH": 3,
"minW": 3
},
"xxl": {
- "h": 3,
- "w": 8,
- "x": 0,
- "y": 8,
+ "h": 10,
+ "w": 11,
+ "x": 25,
+ "y": 0,
"minH": 3,
"minW": 3
}
},
- "x": {
- "quantity": "results.properties.optoelectronic.solar_cell.illumination_intensity"
- },
- "scale": "1/4",
- "autorange": true,
- "showinput": true,
- "nbins": 30
+ "quantity": "results.material.topology.sbu_type",
+ "scale": "linear",
+ "showinput": true
},
{
- "type": "terms",
+ "type": "histogram",
"layout": {
"lg": {
- "h": 6,
- "w": 6,
- "x": 18,
- "y": 0,
+ "h": 5,
+ "w": 12,
+ "x": 0,
+ "y": 9,
"minH": 3,
"minW": 3
},
"md": {
"h": 4,
- "w": 6,
- "x": 12,
- "y": 0,
+ "w": 9,
+ "x": 0,
+ "y": 8,
"minH": 3,
"minW": 3
},
"sm": {
- "h": 5,
- "w": 4,
+ "h": 3,
+ "w": 6,
"x": 0,
- "y": 5,
+ "y": 6,
"minH": 3,
"minW": 3
},
"xl": {
- "h": 6,
- "w": 6,
- "x": 8,
- "y": 8,
+ "h": 5,
+ "w": 15,
+ "x": 0,
+ "y": 9,
"minH": 3,
"minW": 3
},
"xxl": {
"h": 6,
- "w": 6,
- "x": 8,
- "y": 8,
+ "w": 19,
+ "x": 0,
+ "y": 10,
"minH": 3,
"minW": 3
}
},
- "quantity": "results.properties.optoelectronic.solar_cell.absorber_fabrication",
+ "x": {
+ "quantity": "results.material.topology.pore_limiting_diameter"
+ },
"scale": "linear",
- "showinput": true
+ "autorange": true,
+ "showinput": true,
+ "nbins": 30
},
{
- "title": "Band gap",
"type": "histogram",
"layout": {
"lg": {
- "h": 4,
+ "h": 5,
"w": 12,
- "x": 12,
- "y": 16,
+ "x": 0,
+ "y": 14,
"minH": 3,
- "minW": 8
+ "minW": 3
},
"md": {
- "h": 3,
- "w": 8,
- "x": 10,
- "y": 14,
+ "h": 4,
+ "w": 9,
+ "x": 9,
+ "y": 8,
"minH": 3,
- "minW": 8
+ "minW": 3
},
"sm": {
"h": 3,
- "w": 8,
- "x": 4,
- "y": 10,
+ "w": 6,
+ "x": 6,
+ "y": 6,
"minH": 3,
- "minW": 8
+ "minW": 3
},
"xl": {
- "h": 3,
- "w": 8,
+ "h": 5,
+ "w": 15,
"x": 0,
- "y": 8,
+ "y": 14,
"minH": 3,
- "minW": 8
+ "minW": 3
},
"xxl": {
- "h": 3,
- "w": 8,
- "x": 0,
- "y": 11,
+ "h": 6,
+ "w": 17,
+ "x": 19,
+ "y": 10,
"minH": 3,
- "minW": 8
+ "minW": 3
}
},
"x": {
- "quantity": "results.properties.electronic.band_structure_electronic.band_gap.value"
+ "quantity": "results.material.topology.largest_cavity_diameter"
},
- "scale": "1/4",
- "autorange": false,
- "showinput": false,
+ "scale": "linear",
+ "autorange": true,
+ "showinput": true,
"nbins": 30
},
{
- "type": "terms",
+ "type": "histogram",
"layout": {
"lg": {
- "h": 6,
- "w": 6,
- "x": 18,
- "y": 6,
+ "h": 5,
+ "w": 12,
+ "x": 11,
+ "y": 9,
"minH": 3,
"minW": 3
},
"md": {
- "h": 6,
- "w": 5,
+ "h": 4,
+ "w": 9,
"x": 0,
- "y": 14,
+ "y": 12,
"minH": 3,
"minW": 3
},
"sm": {
- "h": 5,
- "w": 4,
- "x": 4,
- "y": 5,
+ "h": 3,
+ "w": 6,
+ "x": 0,
+ "y": 9,
"minH": 3,
"minW": 3
},
"xl": {
- "h": 6,
- "w": 5,
- "x": 25,
- "y": 8,
+ "h": 5,
+ "w": 15,
+ "x": 15,
+ "y": 9,
"minH": 3,
"minW": 3
},
"xxl": {
"h": 6,
- "w": 6,
- "x": 20,
- "y": 8,
+ "w": 19,
+ "x": 0,
+ "y": 16,
"minH": 3,
"minW": 3
}
},
- "quantity": "results.properties.optoelectronic.solar_cell.electron_transport_layer",
+ "x": {
+ "quantity": "results.material.topology.accessible_surface_area"
+ },
"scale": "linear",
- "showinput": true
+ "autorange": true,
+ "showinput": true,
+ "nbins": 30
},
{
- "type": "terms",
+ "type": "histogram",
"layout": {
"lg": {
- "h": 6,
- "w": 6,
- "x": 12,
- "y": 6,
+ "h": 5,
+ "w": 12,
+ "x": 11,
+ "y": 14,
"minH": 3,
"minW": 3
},
"md": {
- "h": 6,
- "w": 5,
- "x": 5,
- "y": 14,
+ "h": 4,
+ "w": 9,
+ "x": 9,
+ "y": 12,
"minH": 3,
"minW": 3
},
"sm": {
- "h": 5,
- "w": 4,
- "x": 8,
- "y": 5,
+ "h": 3,
+ "w": 6,
+ "x": 6,
+ "y": 9,
"minH": 3,
"minW": 3
},
"xl": {
- "h": 6,
- "w": 5,
- "x": 20,
- "y": 8,
+ "h": 5,
+ "w": 15,
+ "x": 15,
+ "y": 14,
"minH": 3,
"minW": 3
},
"xxl": {
"h": 6,
- "w": 6,
- "x": 26,
- "y": 8,
+ "w": 17,
+ "x": 19,
+ "y": 16,
"minH": 3,
"minW": 3
}
},
- "quantity": "results.properties.optoelectronic.solar_cell.hole_transport_layer",
+ "x": {
+ "quantity": "results.material.topology.void_fraction"
+ },
"scale": "linear",
- "showinput": true
+ "autorange": true,
+ "showinput": true,
+ "nbins": 30
}
]
},
"filters_locked": {
- "sections": "nomad.datamodel.results.SolarCell"
+ "results.material.topology.label": "MOF"
},
"search_syntaxes": {
"exclude": [
@@ -4208,22 +4201,17 @@ window.nomadEnv = {
]
}
}
+ },
+ "nomad_porous_materials.normalizers:porositynormalizer": {
+ "id": "nomad_porous_materials.normalizers:porositynormalizer",
+ "entry_point_type": "normalizer",
+ "name": "PorosityNormalizer",
+ "description": "\n Normalizer that automatically extracts properties from porous\n materials.\n ",
+ "plugin_package": "nomad_porous_materials"
}
}
},
"plugin_packages": {
- "nomad_porous_materials": {
- "name": "nomad_porous_materials",
- "description": "NOMAD plugin for porous materials",
- "version": "0.1.0",
- "homepage": null,
- "documentation": null,
- "repository": "https://github.com/lauri-codes/nomad-porous-materials",
- "entry_points": [
- "nomad_porous_materials.apps:mofapp",
- "nomad_porous_materials.normalizers:porositynormalizer"
- ]
- },
"perovskite_solar_cell_database": {
"name": "perovskite_solar_cell_database",
"description": "Perovskite solar cell data schema plugin for NOMAD.",
@@ -4235,6 +4223,18 @@ window.nomadEnv = {
"perovskite_solar_cell_database:perovskite_solar_cell",
"perovskite_solar_cell_database.apps:solar_cells"
]
+ },
+ "nomad_porous_materials": {
+ "name": "nomad_porous_materials",
+ "description": "NOMAD plugin for porous materials",
+ "version": "0.1.0",
+ "homepage": null,
+ "documentation": null,
+ "repository": "https://github.com/lauri-codes/nomad-porous-materials",
+ "entry_points": [
+ "nomad_porous_materials.apps:mofapp",
+ "nomad_porous_materials.normalizers:porositynormalizer"
+ ]
}
}
}
diff --git a/mkdocs.yml b/mkdocs.yml
index b7976320b50757fb17a59c61e4ae64a9a88fbe8a..3df5e7bbd8ee018147020e63942690d554c4e1da 100644
--- a/mkdocs.yml
+++ b/mkdocs.yml
@@ -65,6 +65,18 @@ nav:
- H5MD schema - Howto: examples/computational_data/h5md_howto.md
- H5MD schema - Explanation: examples/computational_data/h5md_expl.md
- H5MD - Reference: examples/computational_data/h5md_ref.md
+ - Experimental data:
+ - NeXus:
+ - NeXus semantic file format: examples/experiment_data/nexus.md
+ - Guide to parser library pynxtools: examples/experiment_data/pynxtools.md
+ - Electron microscopy: examples/experiment_data/em.md
+ - Photoemission spectroscopy: examples/experiment_data/mpes.md
+ - X-ray photoemission spectroscopy: examples/experiment_data/xps.md
+ - Optical spectroscopy: examples/experiment_data/opt.md
+ - Atom probe tomography: examples/experiment_data/apm.md
+ - Scanning tunneling spectroscopy: examples/experiment_data/sts.md
+ # - NOMAD-supported plugins:
+ # - Databases for specific research topics:
- Explanation:
- From files to data: explanation/basics.md
- Data structure: explanation/data.md