diff --git a/gui/tests/env.js b/gui/tests/env.js
index 5c4b3f48b0a52cba997a9982cf19ae7daa6eadf8..4ae2941fd81ae05063a09934a80ff7d296d55363 100644
--- a/gui/tests/env.js
+++ b/gui/tests/env.js
@@ -425,9 +425,6 @@ window.nomadEnv = {
}
},
"apps": {
- "exclude": [
- "heterogeneouscatalyst"
- ],
"options": {
"entries": {
"label": "Entries",
@@ -1608,1026 +1605,6 @@ window.nomadEnv = {
"free_text"
]
}
- },
- "heterogeneouscatalyst": {
- "label": "Heterogeneous Catalysis",
- "path": "heterogeneouscatalyst",
- "resource": "entries",
- "category": "Use Cases",
- "description": "Search heterogeneous catalysts",
- "readme": "This page allows you to search **catalyst and catalysis data** within NOMAD. The filter menu on the left and the shown default columns are specifically designed for Heterogeneous Catalyst exploration. The dashboard directly shows useful interactive statistics about the data.",
- "pagination": {
- "order_by": "upload_create_time",
- "order": "desc",
- "page_size": 20
- },
- "columns": {
- "options": {
- "results.material.elements": {
- "align": "left"
- },
- "results.properties.catalytic.catalyst.catalyst_type": {
- "align": "left"
- },
- "results.properties.catalytic.catalyst.catalyst_name": {
- "align": "left"
- },
- "results.properties.catalytic.catalyst.preparation_method": {
- "label": "Preparation",
- "align": "left"
- },
- "results.properties.catalytic.catalyst.surface_area": {
- "label": "Surface area",
- "align": "left",
- "unit": "m^2/g",
- "format": {
- "decimals": 2,
- "mode": "standard"
- }
- },
- "results.properties.catalytic.reaction.name": {
- "label": "Reaction name",
- "align": "left"
- },
- "results.properties.catalytic.reaction.type": {
- "label": "Reaction class",
- "align": "left"
- },
- "results.properties.catalytic.reaction.reactants.name": {
- "label": "Reactants",
- "align": "left"
- },
- "results.properties.catalytic.reaction.products.name": {
- "label": "Products",
- "align": "left"
- },
- "references": {
- "align": "left"
- },
- "results.material.chemical_formula_hill": {
- "label": "Formula",
- "align": "left"
- },
- "results.material.structural_type": {
- "align": "left"
- },
- "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"
- },
- "upload_create_time": {
- "label": "Upload time",
- "align": "left"
- },
- "authors": {
- "align": "left"
- },
- "comment": {
- "align": "left"
- },
- "datasets": {
- "align": "left"
- },
- "published": {
- "label": "Access",
- "align": "left"
- }
- },
- "selected": [
- "entry_name",
- "results.properties.catalytic.reaction.name",
- "results.properties.catalytic.catalyst.catalyst_type",
- "results.properties.catalytic.catalyst.preparation_method",
- "results.properties.catalytic.catalyst.surface_area"
- ]
- },
- "rows": {
- "actions": {
- "enabled": true
- },
- "details": {
- "enabled": true
- },
- "selection": {
- "enabled": true
- }
- },
- "filter_menus": {
- "options": {
- "material": {
- "label": "Catalyst Material",
- "level": 0,
- "size": "s"
- },
- "elements": {
- "label": "Elements / Formula",
- "level": 1,
- "size": "xl"
- },
- "structure": {
- "label": "Structure / Symmetry",
- "level": 1,
- "size": "s"
- },
- "heterogeneouscatalyst": {
- "label": "Catalytic 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,
- "size": "m"
- },
- "metadata": {
- "label": "Visibility / IDs / Schema",
- "level": 0,
- "size": "s"
- },
- "optimade": {
- "label": "Optimade",
- "level": 0,
- "size": "m"
- }
- }
- },
- "filters": {
- "exclude": [
- "mainfile",
- "entry_name",
- "combine"
- ]
- },
- "dashboard": {
- "widgets": [
- {
- "type": "periodictable",
- "layout": {
- "lg": {
- "h": 10,
- "w": 16,
- "x": 0,
- "y": 6,
- "minH": 8,
- "minW": 12
- },
- "md": {
- "h": 8,
- "w": 12,
- "x": 0,
- "y": 5,
- "minH": 8,
- "minW": 12
- },
- "sm": {
- "h": 8,
- "w": 12,
- "x": 0,
- "y": 4,
- "minH": 8,
- "minW": 12
- },
- "xl": {
- "h": 10,
- "w": 16,
- "x": 0,
- "y": 6,
- "minH": 8,
- "minW": 12
- },
- "xxl": {
- "h": 10,
- "w": 16,
- "x": 0,
- "y": 6,
- "minH": 8,
- "minW": 12
- }
- },
- "quantity": "results.material.elements",
- "scale": "linear"
- },
- {
- "title": "Reactants",
- "type": "terms",
- "layout": {
- "lg": {
- "h": 6,
- "w": 8,
- "x": 8,
- "y": 0,
- "minH": 3,
- "minW": 3
- },
- "md": {
- "h": 5,
- "w": 6,
- "x": 6,
- "y": 0,
- "minH": 3,
- "minW": 3
- },
- "sm": {
- "h": 4,
- "w": 4,
- "x": 4,
- "y": 0,
- "minH": 4,
- "minW": 3
- },
- "xl": {
- "h": 6,
- "w": 8,
- "x": 8,
- "y": 0,
- "minH": 3,
- "minW": 3
- },
- "xxl": {
- "h": 6,
- "w": 8,
- "x": 8,
- "y": 0,
- "minH": 3,
- "minW": 3
- }
- },
- "quantity": "results.properties.catalytic.reaction.reactants.name",
- "scale": "linear",
- "showinput": true
- },
- {
- "title": "Reaction Name",
- "type": "terms",
- "layout": {
- "lg": {
- "h": 6,
- "w": 8,
- "x": 0,
- "y": 0,
- "minH": 3,
- "minW": 3
- },
- "md": {
- "h": 5,
- "w": 6,
- "x": 0,
- "y": 0,
- "minH": 3,
- "minW": 3
- },
- "sm": {
- "h": 4,
- "w": 4,
- "x": 0,
- "y": 0,
- "minH": 3,
- "minW": 3
- },
- "xl": {
- "h": 6,
- "w": 8,
- "x": 0,
- "y": 0,
- "minH": 3,
- "minW": 3
- },
- "xxl": {
- "h": 6,
- "w": 8,
- "x": 0,
- "y": 0,
- "minH": 3,
- "minW": 3
- }
- },
- "quantity": "results.properties.catalytic.reaction.name",
- "scale": "linear",
- "showinput": true
- },
- {
- "title": "Products",
- "type": "terms",
- "layout": {
- "lg": {
- "h": 6,
- "w": 8,
- "x": 16,
- "y": 0,
- "minH": 3,
- "minW": 3
- },
- "md": {
- "h": 5,
- "w": 6,
- "x": 12,
- "y": 0,
- "minH": 3,
- "minW": 3
- },
- "sm": {
- "h": 4,
- "w": 4,
- "x": 8,
- "y": 0,
- "minH": 3,
- "minW": 3
- },
- "xl": {
- "h": 6,
- "w": 8,
- "x": 16,
- "y": 0,
- "minH": 3,
- "minW": 3
- },
- "xxl": {
- "h": 6,
- "w": 8,
- "x": 16,
- "y": 0,
- "minH": 3,
- "minW": 3
- }
- },
- "quantity": "results.properties.catalytic.reaction.products.name",
- "scale": "linear",
- "showinput": true
- },
- {
- "type": "terms",
- "layout": {
- "lg": {
- "h": 5,
- "w": 8,
- "x": 16,
- "y": 6,
- "minH": 3,
- "minW": 3
- },
- "md": {
- "h": 4,
- "w": 6,
- "x": 12,
- "y": 5,
- "minH": 3,
- "minW": 3
- },
- "sm": {
- "h": 3,
- "w": 6,
- "x": 0,
- "y": 12,
- "minH": 3,
- "minW": 3
- },
- "xl": {
- "h": 5,
- "w": 8,
- "x": 16,
- "y": 6,
- "minH": 3,
- "minW": 3
- },
- "xxl": {
- "h": 5,
- "w": 8,
- "x": 16,
- "y": 6,
- "minH": 3,
- "minW": 3
- }
- },
- "quantity": "results.properties.catalytic.catalyst.preparation_method",
- "scale": "linear",
- "showinput": true
- },
- {
- "type": "terms",
- "layout": {
- "lg": {
- "h": 5,
- "w": 8,
- "x": 16,
- "y": 11,
- "minH": 3,
- "minW": 3
- },
- "md": {
- "h": 4,
- "w": 6,
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- "minH": 3,
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- "h": 3,
- "w": 6,
- "x": 6,
- "y": 12,
- "minH": 3,
- "minW": 3
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- "h": 5,
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- "x": 16,
- "y": 11,
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- },
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- "h": 5,
- "w": 8,
- "x": 16,
- "y": 11,
- "minH": 3,
- "minW": 3
- }
- },
- "quantity": "results.properties.catalytic.catalyst.catalyst_type",
- "scale": "linear",
- "showinput": true
- },
- {
- "title": "Reaction Weight Hourly Space Velocity",
- "type": "histogram",
- "layout": {
- "lg": {
- "h": 5,
- "w": 12,
- "x": 12,
- "y": 21,
- "minH": 3,
- "minW": 8
- },
- "md": {
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- "x": 9,
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- "minH": 3,
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- },
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- "w": 6,
- "x": 6,
- "y": 18,
- "minH": 3,
- "minW": 6
- },
- "xl": {
- "h": 4,
- "w": 12,
- "x": 12,
- "y": 20,
- "minH": 3,
- "minW": 8
- },
- "xxl": {
- "h": 4,
- "w": 12,
- "x": 12,
- "y": 20,
- "minH": 3,
- "minW": 8
- }
- },
- "x": {
- "unit": "ml/(g*s)",
- "quantity": "results.properties.catalytic.reaction.reaction_conditions.weight_hourly_space_velocity",
- "scale": "linear"
- },
- "y": {
- "scale": "linear"
- },
- "scale": "linear",
- "autorange": false,
- "showinput": false,
- "nbins": 30
- },
- {
- "title": "Reactant feed concentration vs. Temperature",
- "type": "scatterplot",
- "layout": {
- "lg": {
- "h": 10,
- "w": 12,
- "x": 0,
- "y": 16,
- "minH": 3,
- "minW": 8
- },
- "md": {
- "h": 6,
- "w": 9,
- "x": 0,
- "y": 13,
- "minH": 3,
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- "minH": 3,
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- },
- "xl": {
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- "h": 8,
- "w": 12,
- "x": 0,
- "y": 16,
- "minH": 6,
- "minW": 8
- }
- },
- "x": {
- "title": "gas concentration (%)",
- "quantity": "results.properties.catalytic.reaction.reactants[*].gas_concentration_in",
- "scale": "linear"
- },
- "y": {
- "quantity": "results.properties.catalytic.reaction.reaction_conditions.temperature",
- "scale": "linear"
- },
- "markers": {
- "color": {
- "quantity": "results.properties.catalytic.reaction.reactants[*].name",
- "scale": "linear"
- }
- },
- "size": 1000,
- "autorange": true
- },
- {
- "title": "Reaction Pressure",
- "type": "histogram",
- "layout": {
- "lg": {
- "h": 5,
- "w": 12,
- "x": 12,
- "y": 16,
- "minH": 3,
- "minW": 8
- },
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- "y": 13,
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- "w": 12,
- "x": 12,
- "y": 16,
- "minH": 3,
- "minW": 8
- }
- },
- "x": {
- "unit": "bar",
- "quantity": "results.properties.catalytic.reaction.reaction_conditions.pressure",
- "scale": "linear"
- },
- "y": {
- "scale": "linear"
- },
- "scale": "linear",
- "autorange": false,
- "showinput": false,
- "nbins": 30
- },
- {
- "title": "Temperature vs. Conversion",
- "type": "scatterplot",
- "layout": {
- "lg": {
- "h": 8,
- "w": 12,
- "x": 0,
- "y": 26,
- "minH": 3,
- "minW": 3
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- "minH": 3,
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- }
- },
- "x": {
- "quantity": "results.properties.catalytic.reaction.reaction_conditions.temperature",
- "scale": "linear"
- },
- "y": {
- "title": "Conversion (%)",
- "quantity": "results.properties.catalytic.reaction.reactants[*].conversion",
- "scale": "linear"
- },
- "markers": {
- "color": {
- "quantity": "results.properties.catalytic.reaction.reactants[*].name",
- "scale": "linear"
- }
- },
- "size": 1000,
- "autorange": true
- },
- {
- "title": "Temperature vs. Selectivity",
- "type": "scatterplot",
- "layout": {
- "lg": {
- "h": 8,
- "w": 12,
- "x": 12,
- "y": 26,
- "minH": 3,
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- "y": 24,
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- }
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- "x": {
- "quantity": "results.properties.catalytic.reaction.reaction_conditions.temperature",
- "scale": "linear"
- },
- "y": {
- "title": "Selectivity (%)",
- "quantity": "results.properties.catalytic.reaction.products[*].selectivity",
- "scale": "linear"
- },
- "markers": {
- "color": {
- "quantity": "results.properties.catalytic.reaction.products[*].name",
- "scale": "linear"
- }
- },
- "size": 1000,
- "autorange": true
- },
- {
- "type": "scatterplot",
- "layout": {
- "lg": {
- "h": 8,
- "w": 12,
- "x": 0,
- "y": 34,
- "minH": 3,
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- "x": 0,
- "y": 33,
- "minH": 3,
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- "x": {
- "title": "Oxygen Conversion (%)",
- "quantity": "results.properties.catalytic.reaction.reactants[? name=='molecular oxygen'].conversion",
- "scale": "linear"
- },
- "y": {
- "title": "Acetic Acid Selectivity (%)",
- "quantity": "results.properties.catalytic.reaction.products[? name=='acetic acid'].selectivity",
- "scale": "linear"
- },
- "markers": {
- "color": {
- "quantity": "results.properties.catalytic.reaction.name",
- "scale": "linear"
- }
- },
- "size": 1000,
- "autorange": true
- },
- {
- "type": "scatterplot",
- "layout": {
- "lg": {
- "h": 8,
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- "y": 34,
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- "w": 12,
- "x": 12,
- "y": 33,
- "minH": 3,
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- },
- "x": {
- "title": "Carbon Monoxide Conversion (%)",
- "quantity": "results.properties.catalytic.reaction.reactants[? name=='carbon monoxide'].conversion",
- "scale": "linear"
- },
- "y": {
- "title": "Ethanol Selectivity (%)",
- "quantity": "results.properties.catalytic.reaction.products[? name=='ethanol'].selectivity",
- "scale": "linear"
- },
- "markers": {
- "color": {
- "quantity": "results.properties.catalytic.catalyst.preparation_method",
- "scale": "linear"
- }
- },
- "size": 1000,
- "autorange": true
- },
- {
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- "type": "histogram",
- "layout": {
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- "y": 42,
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- "x": {
- "unit": "m^2/g",
- "quantity": "results.properties.catalytic.catalyst.surface_area",
- "scale": "linear"
- },
- "y": {
- "scale": "log"
- },
- "scale": "linear",
- "autorange": false,
- "showinput": false,
- "nbins": 30
- },
- {
- "type": "terms",
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- "x": 12,
- "y": 42,
- "minH": 3,
- "minW": 3
- },
- "xxl": {
- "h": 4,
- "w": 12,
- "x": 12,
- "y": 42,
- "minH": 3,
- "minW": 3
- }
- },
- "quantity": "results.properties.catalytic.catalyst.characterization_methods",
- "scale": "linear",
- "showinput": true
- }
- ]
- },
- "filters_locked": {
- "quantities": "results.properties.catalytic"
- },
- "search_syntaxes": {
- "exclude": [
- "free_text"
- ]
- }
}
}
},
diff --git a/nomad/config/defaults.yaml b/nomad/config/defaults.yaml
index f11c3622f131c42ba32dacfe4775e2e07c6c1c05..1a21753427eff35f16e0baedd89ac28284e28c16 100644
--- a/nomad/config/defaults.yaml
+++ b/nomad/config/defaults.yaml
@@ -728,8 +728,6 @@ ui:
definition: atomic_unit_of_time
locked: true
apps:
- exclude:
- - heterogeneouscatalyst
options:
entries:
label: Entries
@@ -1260,299 +1258,6 @@ ui:
optimade:
label: Optimade
size: m
- heterogeneouscatalyst:
- label: Heterogeneous Catalysis
- path: heterogeneouscatalyst
- category: Use Cases
- description: Search heterogeneous catalysts
- readme: 'This page allows you to search **catalyst and catalysis data**
- within NOMAD. The filter menu on the left and the shown
- default columns are specifically designed for Heterogeneous Catalyst
- exploration. The dashboard directly shows useful
- interactive statistics about the data.'
- filters:
- exclude:
- - mainfile
- - entry_name
- - combine
- filters_locked:
- quantities: results.properties.catalytic
- search_syntaxes:
- exclude:
- - free_text
- columns:
- selected:
- - entry_name
- - results.properties.catalytic.reaction.name
- - results.properties.catalytic.catalyst.catalyst_type
- - results.properties.catalytic.catalyst.preparation_method
- - results.properties.catalytic.catalyst.surface_area
- options:
- results.material.elements: {}
- results.properties.catalytic.catalyst.catalyst_type: {}
- results.properties.catalytic.catalyst.catalyst_name: {}
- results.properties.catalytic.catalyst.preparation_method: {label: Preparation}
- results.properties.catalytic.catalyst.surface_area:
- format:
- decimals: 2
- mode: standard
- unit: 'm^2/g'
- label: Surface area
- results.properties.catalytic.reaction.name: {label: Reaction name}
- results.properties.catalytic.reaction.type: {label: Reaction class}
- results.properties.catalytic.reaction.reactants.name: {label: Reactants}
- results.properties.catalytic.reaction.products.name: {label: Products}
- references: {}
- results.material.chemical_formula_hill: {label: Formula}
- results.material.structural_type: {}
- results.eln.lab_ids: {}
- results.eln.sections: {}
- results.eln.methods: {}
- results.eln.tags: {}
- results.eln.instruments: {}
- entry_name: {label: Name}
- entry_type: {}
- mainfile: {}
- upload_create_time: {label: Upload time}
- authors: {}
- comment: {}
- datasets: {}
- published: {label: Access}
- filter_menus:
- options:
- material:
- label: Catalyst Material
- elements:
- label: Elements / Formula
- level: 1
- size: xl
- structure:
- label: Structure / Symmetry
- level: 1
- heterogeneouscatalyst:
- label: Catalytic Properties
- eln:
- label: Electronic Lab Notebook
- custom_quantities:
- label: User Defined Quantities
- size: l
- author:
- label: Author / Origin / Dataset
- size: m
- metadata:
- label: Visibility / IDs / Schema
- optimade:
- label: Optimade
- size: m
- dashboard:
- widgets:
- - layout:
- lg: {h: 10, minH: 8, minW: 12, w: 16, x: 0, y: 6}
- md: {h: 8, minH: 8, minW: 12, w: 12, x: 0, y: 5}
- sm: {h: 8, minH: 8, minW: 12, w: 12, x: 0, y: 4}
- xl: {h: 10, minH: 8, minW: 12, w: 16, x: 0, y: 6}
- xxl: {h: 10, minH: 8, minW: 12, w: 16, x: 0, y: 6}
- quantity: results.material.elements
- scale: linear
- type: periodictable
- - layout:
- lg: {h: 6, minH: 3, minW: 3, w: 8, x: 8, y: 0}
- md: {h: 5, minH: 3, minW: 3, w: 6, x: 6, y: 0}
- sm: {h: 4, minH: 4, minW: 3, w: 4, x: 4, y: 0}
- xl: {h: 6, minH: 3, minW: 3, w: 8, x: 8, y: 0}
- xxl: {h: 6, minH: 3, minW: 3, w: 8, x: 8, y: 0}
- title: 'Reactants'
- quantity: results.properties.catalytic.reaction.reactants.name
- scale: linear
- showinput: true
- type: terms
- - layout:
- lg: {h: 6, minH: 3, minW: 3, w: 8, x: 0, y: 0}
- md: {h: 5, minH: 3, minW: 3, w: 6, x: 0, y: 0}
- sm: {h: 4, minH: 3, minW: 3, w: 4, x: 0, y: 0}
- xl: {h: 6, minH: 3, minW: 3, w: 8, x: 0, y: 0}
- xxl: {h: 6, minH: 3, minW: 3, w: 8, x: 0, y: 0}
- title: 'Reaction Name'
- quantity: results.properties.catalytic.reaction.name
- scale: linear
- showinput: true
- type: terms
- - layout:
- lg: {h: 6, minH: 3, minW: 3, w: 8, x: 16, y: 0}
- md: {h: 5, minH: 3, minW: 3, w: 6, x: 12, y: 0}
- sm: {h: 4, minH: 3, minW: 3, w: 4, x: 8, y: 0}
- xl: {h: 6, minH: 3, minW: 3, w: 8, x: 16, y: 0}
- xxl: {h: 6, minH: 3, minW: 3, w: 8, x: 16, y: 0}
- title: 'Products'
- quantity: results.properties.catalytic.reaction.products.name
- scale: linear
- showinput: true
- type: terms
- - layout:
- lg: {h: 5, minH: 3, minW: 3, w: 8, x: 16, y: 6}
- md: {h: 4, minH: 3, minW: 3, w: 6, x: 12, y: 5}
- sm: {h: 3, minH: 3, minW: 3, w: 6, x: 0, y: 12}
- xl: {h: 5, minH: 3, minW: 3, w: 8, x: 16, y: 6}
- xxl: {h: 5, minH: 3, minW: 3, w: 8, x: 16, y: 6}
- quantity: results.properties.catalytic.catalyst.preparation_method
- scale: linear
- showinput: true
- type: terms
- - layout:
- lg: {h: 5, minH: 3, minW: 3, w: 8, x: 16, y: 11}
- md: {h: 4, minH: 3, minW: 3, w: 6, x: 12, y: 9}
- sm: {h: 3, minH: 3, minW: 3, w: 6, x: 6, y: 12}
- xl: {h: 5, minH: 3, minW: 3, w: 8, x: 16, y: 11}
- xxl: {h: 5, minH: 3, minW: 3, w: 8, x: 16, y: 11}
- quantity: results.properties.catalytic.catalyst.catalyst_type
- scale: linear
- showinput: true
- type: terms
- - autorange: false
- layout:
- lg: {h: 5, minH: 3, minW: 8, w: 12, x: 12, y: 21}
- md: {h: 3, minH: 3, minW: 8, w: 9, x: 9, y: 16}
- sm: {h: 3, minH: 3, minW: 6, w: 6, x: 6, y: 18}
- xl: {h: 4, minH: 3, minW: 8, w: 12, x: 12, y: 20}
- xxl: {h: 4, minH: 3, minW: 8, w: 12, x: 12, y: 20}
- nbins: 30
- x:
- quantity: results.properties.catalytic.reaction.reaction_conditions.weight_hourly_space_velocity
- unit: 'ml/(g*s)'
- title: 'Reaction Weight Hourly Space Velocity'
- scale: linear
- showinput: false
- type: histogram
- - autorange: true
- layout:
- lg: {h: 10, minH: 3, minW: 8, w: 12, x: 0, y: 16}
- md: {h: 6, minH: 3, minW: 8, w: 9, x: 0, y: 13}
- sm: {h: 6, minH: 3, minW: 6, w: 6, x: 0, y: 15}
- xl: {h: 8, minH: 3, minW: 8, w: 12, x: 0, y: 16}
- xxl: {h: 8, minH: 6, minW: 8, w: 12, x: 0, y: 16}
- markers:
- color:
- quantity: results.properties.catalytic.reaction.reactants[*].name
- size: 1000
- x:
- quantity: results.properties.catalytic.reaction.reactants[*].gas_concentration_in
- title: 'gas concentration (%)'
- y:
- quantity: results.properties.catalytic.reaction.reaction_conditions.temperature
- title: 'Reactant feed concentration vs. Temperature'
- type: scatterplot
- - autorange: false
- layout:
- lg: {h: 5, minH: 3, minW: 8, w: 12, x: 12, y: 16}
- md: {h: 3, minH: 3, minW: 8, w: 9, x: 9, y: 13}
- sm: {h: 3, minH: 3, minW: 6, w: 6, x: 6, y: 15}
- xl: {h: 4, minH: 3, minW: 8, w: 12, x: 12, y: 16}
- xxl: {h: 4, minH: 3, minW: 8, w: 12, x: 12, y: 16}
- nbins: 30
- x:
- quantity: results.properties.catalytic.reaction.reaction_conditions.pressure
- unit: 'bar'
- title: 'Reaction Pressure'
- scale: linear
- showinput: false
- type: histogram
- - autorange: true
- layout:
- lg: {h: 8, minH: 3, minW: 3, w: 12, x: 0, y: 26}
- md: {h: 6, minH: 3, minW: 3, w: 9, x: 0, y: 19}
- sm: {h: 5, minH: 3, minW: 3, w: 6, x: 0, y: 21}
- xl: {h: 9, minH: 3, minW: 3, w: 12, x: 0, y: 24}
- xxl: {h: 9, minH: 3, minW: 3, w: 12, x: 0, y: 24}
- markers:
- color:
- quantity: results.properties.catalytic.reaction.reactants[*].name
- size: 1000
- title: 'Temperature vs. Conversion'
- type: scatterplot
- x:
- quantity: results.properties.catalytic.reaction.reaction_conditions.temperature
- y:
- quantity: results.properties.catalytic.reaction.reactants[*].conversion
- title: 'Conversion (%)'
- - autorange: true
- layout:
- lg: {h: 8, minH: 3, minW: 3, w: 12, x: 12, y: 26}
- md: {h: 6, minH: 3, minW: 3, w: 9, x: 9, y: 19}
- sm: {h: 5, minH: 3, minW: 3, w: 6, x: 6, y: 21}
- xl: {h: 9, minH: 3, minW: 3, w: 12, x: 12, y: 24}
- xxl: {h: 9, minH: 3, minW: 3, w: 12, x: 12, y: 24}
- markers:
- color:
- quantity: results.properties.catalytic.reaction.products[*].name
- size: 1000
- title: 'Temperature vs. Selectivity'
- type: scatterplot
- x:
- quantity: results.properties.catalytic.reaction.reaction_conditions.temperature
- y:
- quantity: results.properties.catalytic.reaction.products[*].selectivity
- title: 'Selectivity (%)'
- - autorange: true
- layout:
- lg: {h: 8, minH: 3, minW: 3, w: 12, x: 0, y: 34}
- md: {h: 6, minH: 3, minW: 3, w: 9, x: 0, y: 25}
- sm: {h: 5, minH: 3, minW: 3, w: 6, x: 0, y: 26}
- xl: {h: 9, minH: 3, minW: 3, w: 12, x: 0, y: 33}
- xxl: {h: 9, minH: 3, minW: 3, w: 12, x: 0, y: 33}
- markers:
- color:
- quantity: results.properties.catalytic.reaction.name
- size: 1000
- type: scatterplot
- x:
- quantity: results.properties.catalytic.reaction.reactants[? name=='molecular oxygen'].conversion
- title: 'Oxygen Conversion (%)'
- y:
- quantity: results.properties.catalytic.reaction.products[? name=='acetic acid'].selectivity
- title: 'Acetic Acid Selectivity (%)'
- - autorange: true
- layout:
- lg: {h: 8, minH: 3, minW: 3, w: 12, x: 12, y: 34}
- md: {h: 6, minH: 3, minW: 3, w: 9, x: 9, y: 25}
- sm: {h: 5, minH: 3, minW: 3, w: 6, x: 6, y: 26}
- xl: {h: 9, minH: 3, minW: 3, w: 12, x: 12, y: 33}
- xxl: {h: 9, minH: 3, minW: 3, w: 12, x: 12, y: 33}
- markers:
- color:
- quantity: results.properties.catalytic.catalyst.preparation_method
- size: 1000
- type: scatterplot
- x:
- quantity: results.properties.catalytic.reaction.reactants[? name=='carbon monoxide'].conversion
- title: 'Carbon Monoxide Conversion (%)'
- y:
- quantity: results.properties.catalytic.reaction.products[? name=='ethanol'].selectivity
- title: 'Ethanol Selectivity (%)'
- - autorange: false
- layout:
- lg: {h: 4, minH: 3, minW: 8, w: 12, x: 0, y: 42}
- md: {h: 4, minH: 3, minW: 8, w: 9, x: 0, y: 31}
- sm: {h: 4, minH: 3, minW: 8, w: 8, x: 0, y: 31}
- xl: {h: 4, minH: 3, minW: 8, w: 12, x: 0, y: 42}
- xxl: {h: 4, minH: 3, minW: 8, w: 12, x: 0, y: 42}
- nbins: 30
- x:
- quantity: results.properties.catalytic.catalyst.surface_area
- unit: 'm^2/g'
- title: 'Catalyst Surface Area'
- scale: log
- showinput: false
- type: histogram
- - layout:
- lg: {h: 4, minH: 3, minW: 3, w: 12, x: 12, y: 42}
- md: {h: 4, minH: 3, minW: 3, w: 9, x: 9, y: 31}
- sm: {h: 4, minH: 4, minW: 3, w: 8, x: 8, y: 31}
- xl: {h: 4, minH: 3, minW: 3, w: 12, x: 12, y: 42}
- xxl: {h: 4, minH: 3, minW: 3, w: 12, x: 12, y: 42}
- quantity: results.properties.catalytic.catalyst.characterization_methods
- scale: linear
- showinput: true
- type: terms
plugins:
entry_points:
exclude: