{ "$defs": { "Atmosphere": { "additionalProperties": false, "description": "Atmospheric conditions and gas composition during the experiment.", "properties": { "comment": { "description": "Additional notes about the atmosphere.", "type": [ "string", "null" ] }, "components": { "description": "Gas components present in the atmosphere.", "items": { "$ref": "#/$defs/Component" }, "type": [ "array", "null" ] }, "description": { "description": "Detailed description of the atmospheric conditions.", "type": [ "string", "null" ] }, "totalOrganicCarbon": { "anyOf": [ { "$ref": "#/$defs/Quantity" }, { "type": "null" } ], "description": "Total organic carbon content measurement in the atmosphere." }, "type": { "description": "Type of atmospheric condition, such as inert (Ar saturated), ambient, UHV (ultra high vacuum).", "type": [ "string", "null" ] }, "url": { "description": "URL with further details on the atmospheric setup or control system.", "pattern": "^https?://.*$", "type": [ "string", "null" ] } }, "title": "Atmosphere", "type": "object" }, "ChemicalIdentifiers": { "additionalProperties": false, "description": "Standard chemical identifiers for unambiguous identification of compounds.", "properties": { "cas": { "description": "CAS Registry Number (Chemical Abstracts Service identifier).", "type": [ "string", "null" ] }, "inchi": { "description": "InChI (International Chemical Identifier) string.", "type": [ "string", "null" ] }, "inchikey": { "description": "InChIKey (hashed InChI for easier searching).", "type": [ "string", "null" ] } }, "title": "ChemicalIdentifiers", "type": "object" }, "Component": { "additionalProperties": false, "description": "A chemical component of the electrolyte solution.", "properties": { "chemicalIdentifiers": { "anyOf": [ { "$ref": "#/$defs/ChemicalIdentifiers" }, { "type": "null" } ], "description": "Standard chemical identifiers (CAS, SMILES, InChI, etc.) for unambiguous identification." }, "comment": { "description": "Additional notes or observations about this component.", "type": [ "string", "null" ] }, "concentration": { "anyOf": [ { "$ref": "#/$defs/Quantity" }, { "type": "null" } ], "description": "Concentration of the component in the electrolyte." }, "flow": { "anyOf": [ { "$ref": "#/$defs/Quantity" }, { "type": "null" } ], "description": "Flow rate for gaseous components." }, "name": { "description": "Name or identifier of the chemical component (trivial name, formula, or IUPAC name).", "type": "string" }, "partialPressure": { "anyOf": [ { "$ref": "#/$defs/Quantity" }, { "type": "null" } ], "description": "Partial pressure of a gaseous / volatile component." }, "pressure": { "anyOf": [ { "$ref": "#/$defs/Quantity" }, { "type": "null" } ], "description": "Pressure for gaseous components." }, "proportion": { "anyOf": [ { "$ref": "#/$defs/Quantity" }, { "type": "null" } ], "description": "Proportion of the component (e.g., volume percent, mole fraction)." }, "purity": { "anyOf": [ { "$ref": "#/$defs/Purity" }, { "type": "null" } ], "description": "Purity level of the chemical component after the purification process." }, "source": { "anyOf": [ { "$ref": "#/$defs/ComponentSource" }, { "type": "null" } ], "description": "Information about the supplier and supplied quality of the chemical." }, "type": { "$ref": "#/$defs/ComponentType", "description": "Role or function of the component in the electrolyte." } }, "required": [ "name", "type" ], "title": "Component", "type": "object" }, "ComponentSource": { "additionalProperties": false, "description": "Information about the source and quality of the chemical component.", "properties": { "lot": { "description": "LOT or batch number provided by the manufacturer or supplier for traceability.", "type": [ "string", "null" ] }, "manufacturer": { "description": "Name of the company or organization that manufactured the chemical.", "type": [ "string", "null" ] }, "purity": { "anyOf": [ { "$ref": "#/$defs/Purity" }, { "type": "null" } ], "description": "Stated purity level from the supplier or manufacturer." }, "quality": { "description": "Quality grade of the chemical.", "type": [ "string", "null" ] }, "refinement": { "description": "Any additional purification or treatment performed.", "type": [ "string", "null" ] }, "supplier": { "description": "Name of the company that supplied the chemical.", "type": [ "string", "null" ] } }, "title": "ComponentSource", "type": "object" }, "ComponentType": { "description": "Role or function of the component in the electrolyte.", "enum": [ "solvent", "salt", "acid", "base", "gas", "solute" ], "title": "ComponentType", "type": "string" }, "Curation": { "additionalProperties": false, "description": "Details on the curation process of the data.", "properties": { "process": { "description": "List of people involved in creating, recording, or curating this data.", "items": { "$ref": "#/$defs/Process" }, "type": "array" } }, "required": [ "process" ], "title": "Curation", "type": "object" }, "CurationRole": { "description": "Role of a person in the data curation process.", "enum": [ "experimentalist", "curator", "reviewer", "supervisor" ], "title": "CurationRole", "type": "string" }, "DataField": { "additionalProperties": false, "description": "Description of a data field (column) compatible with frictionless table-schema and extended with echemdb-specific properties for physical quantities.", "properties": { "description": { "description": "A description of that field.", "type": [ "string", "null" ] }, "dimension": { "description": "Physical dimension of the field (e.g., 'time', 'potential', 'current density').", "type": [ "string", "null" ] }, "format": { "description": "Format specification for the field type (default, email, uri, binary, uuid for strings; default for numbers).", "type": [ "string", "null" ] }, "name": { "description": "Name of the data field. Use single letters for specific systems. Otherwise use descriptive names like 't_rel', 'E_WE', or 'j_WE'.", "type": "string" }, "orientation": { "$ref": "#/$defs/FieldOrientation", "description": "Axis orientation in plots (horizontal for x-axis, vertical for y-axis)." }, "reference": { "description": "Reference electrode or reference point for this measurement (electrochemistry-specific).", "type": [ "string", "null" ] }, "title": { "description": "A human-readable title for this field.", "type": [ "string", "null" ] }, "type": { "description": "Data type of the field (string, number, integer, boolean, object, array, date, time, datetime, year, duration, geopoint, geojson, any).", "type": [ "string", "null" ] }, "unit": { "description": "Unit of measurement for this field (SI or conventional electrochemical units), following astropy's string unit notation.", "type": [ "string", "null" ] } }, "required": [ "name" ], "title": "DataField", "type": "object" }, "ElectrochemicalCell": { "additionalProperties": false, "description": "Description of the electrochemical cell setup and configuration.", "properties": { "cellDescription": { "description": "Detailed description of the cell configuration.", "type": [ "string", "null" ] }, "cleaningProcedure": { "description": "Procedure used to clean the cell before experiments.", "type": [ "string", "null" ] }, "components": { "description": "Physical components and parts of the cell that are in contact with the electrolyte.", "items": { "$ref": "#/$defs/ElectrochemicalCellComponent" }, "type": [ "array", "null" ] }, "source": { "anyOf": [ { "$ref": "#/$defs/ElectrochemicalCellSource" }, { "type": "null" } ], "description": "Source and supplier information for the cell." }, "type": { "description": "Type of electrochemical cell, such as H-cell, beaker glass, flow cell.", "type": [ "string", "null" ] } }, "title": "ElectrochemicalCell", "type": "object" }, "ElectrochemicalCellComponent": { "additionalProperties": false, "description": "A component or part of the electrochemical cell.", "properties": { "description": { "description": "Detailed description of the component.", "type": [ "string", "null" ] }, "name": { "description": "Name or identifier of the component.", "type": "string" }, "part": { "description": "Part number or designation.", "type": "string" } }, "required": [ "name", "part" ], "title": "ElectrochemicalCellComponent", "type": "object" }, "ElectrochemicalCellSource": { "additionalProperties": false, "description": "Source information for the electrochemical cell.", "properties": { "url": { "description": "URL to product page or technical documentation.", "pattern": "^https?://.*$", "type": [ "string", "null" ] } }, "title": "ElectrochemicalCellSource", "type": "object" }, "Electrode": { "additionalProperties": false, "description": "An electrode used in the electrochemical cell, such as working, reference, counter, or collector electrode.", "properties": { "crystallographicOrientation": { "description": "Miller indices of the surface orientation or 'poly' for polycrystalline. Always use spaces for value separation.", "type": [ "string", "null" ] }, "description": { "description": "Detailed description of the electrode (especially for custom-made electrodes).", "type": [ "string", "null" ] }, "function": { "description": "Role of the electrode in the electrochemical cell. Typical values: working electrode, counter electrode, reference electrode.", "type": "string" }, "geometricElectrolyteContactArea": { "anyOf": [ { "$ref": "#/$defs/Quantity" }, { "type": "null" } ], "description": "Geometric surface area of electrode in contact with electrolyte." }, "material": { "description": "Chemical symbol or abbreviation of the electrode material.", "type": [ "string", "null" ] }, "name": { "description": "Name or identifier for the electrode.", "type": "string" }, "preparationProcedure": { "anyOf": [ { "$ref": "#/$defs/ElectrodePreparation" }, { "type": "null" } ], "description": "Procedures used to prepare the electrode before measurement." }, "purity": { "anyOf": [ { "$ref": "#/$defs/Purity" }, { "type": "null" } ], "description": "Purity specifications of the electrode material." }, "redoxSystem": { "description": "Name of the reference electrode redox system (RHE, SCE, Ag/AgCl, etc.).", "type": [ "string", "null" ] }, "shape": { "anyOf": [ { "$ref": "#/$defs/Shape" }, { "type": "null" } ], "description": "Physical shape and dimensions of the electrode." }, "source": { "anyOf": [ { "$ref": "#/$defs/ElectrodeSource" }, { "type": "null" } ], "description": "Source and supplier information for the electrode." }, "type": { "description": "Type of electrode, such as single crystal, powder catalyst, metal sheet, or metal wire.", "type": [ "string", "null" ] } }, "required": [ "name", "function" ], "title": "Electrode", "type": "object" }, "ElectrodeFunction": { "description": "Role of the electrode in the electrochemical cell.", "enum": [ "working electrode", "counter electrode", "reference electrode" ], "title": "ElectrodeFunction", "type": "string" }, "ElectrodePreparation": { "additionalProperties": false, "description": "Procedures and methods used to prepare the electrode.", "properties": { "description": { "description": "Step-by-step description of preparation procedure.", "items": { "type": "string" }, "type": [ "array", "null" ] }, "url": { "description": "URL to detailed preparation protocol or procedure, such as an article DOI.", "pattern": "^https?://.*$", "type": [ "string", "null" ] } }, "title": "ElectrodePreparation", "type": "object" }, "ElectrodeSource": { "additionalProperties": false, "description": "Information about the source and supplier of the electrode.", "properties": { "lot": { "description": "LOT or batch number.", "type": [ "string", "null" ] }, "manufacturer": { "description": "Name of the electrode manufacturer.", "type": [ "string", "null" ] }, "model": { "description": "Model number or designation.", "type": [ "string", "null" ] }, "purity": { "anyOf": [ { "$ref": "#/$defs/Purity" }, { "type": "null" } ], "description": "Purity specifications from the manufacturer or supplier." }, "supplier": { "description": "Name of the supplier.", "type": [ "string", "null" ] }, "url": { "description": "URL to product specification or datasheet.", "pattern": "^https?://.*$", "type": [ "string", "null" ] } }, "title": "ElectrodeSource", "type": "object" }, "Electrolyte": { "additionalProperties": false, "description": "The properties and components of the electrolyte solution.", "properties": { "comment": { "description": "Additional notes or observations about the electrolyte.", "type": [ "string", "null" ] }, "components": { "description": "Chemical components of the electrolyte including solvents, salts, acids, bases, and gases.", "items": { "$ref": "#/$defs/Component" }, "type": [ "array", "null" ] }, "electrolyteContainer": { "anyOf": [ { "$ref": "#/$defs/ElectrolyteContainer" }, { "type": "null" } ], "description": "Container used to prepare or store the electrolyte before the measurement." }, "ph": { "anyOf": [ { "$ref": "#/$defs/Quantity" }, { "type": "null" } ], "description": "pH value of the electrolyte solution." }, "temperature": { "anyOf": [ { "$ref": "#/$defs/Quantity" }, { "type": "null" } ], "description": "Temperature of the electrolyte during the experiment." }, "type": { "$ref": "#/$defs/ElectrolyteType", "description": "Type of electrolyte defined by the solvent." } }, "required": [ "type" ], "title": "Electrolyte", "type": "object" }, "ElectrolyteContainer": { "additionalProperties": false, "description": "Container used to prepare or store the electrolyte before the measurement.", "properties": { "components": { "description": "Components of the electrolyte container.", "items": { "$ref": "#/$defs/ElectrolyteContainerComponent" }, "type": [ "array", "null" ] }, "description": { "description": "The vessel in which the supplying electrolyte was prepared or stored before the measurement.", "type": [ "string", "null" ] } }, "title": "ElectrolyteContainer", "type": "object" }, "ElectrolyteContainerComponent": { "additionalProperties": false, "description": "A component of the electrolyte container.", "properties": { "comment": { "description": "Additional notes.", "type": [ "string", "null" ] }, "name": { "description": "A unique identifier.", "type": [ "string", "null" ] }, "type": { "description": "The type of the container, i.e., a flask.", "type": [ "string", "null" ] } }, "title": "ElectrolyteContainerComponent", "type": "object" }, "ElectrolyteType": { "description": "Type of electrolyte defined by the solvent.", "enum": [ "aqueous", "ionic liquid", "non-aqueous", "solid" ], "title": "ElectrolyteType", "type": "string" }, "Experimental": { "additionalProperties": false, "description": "Details about the configuration of the experimental setup.", "properties": { "description": { "description": "Detailed description of the experimental setup and conditions.", "type": [ "string", "null" ] }, "instrumentation": { "description": "Instruments and equipment used in the experiment.", "items": { "$ref": "#/$defs/Instrumentation" }, "type": [ "array", "null" ] }, "tags": { "description": "Keywords or tags describing the experiment, such as BCV, ORR, COOR, XPS, or MS.", "items": { "type": "string" }, "type": [ "array", "null" ] }, "url": { "description": "URL to related documentation, publication (DOI), or ELN entry.", "pattern": "^https?://.*$", "type": [ "string", "null" ] } }, "title": "Experimental", "type": "object" }, "FieldOrientation": { "description": "Axis orientation in plots.", "enum": [ "horizontal", "vertical" ], "title": "FieldOrientation", "type": "string" }, "FigureDescription": { "additionalProperties": false, "description": "Description of the data to a figure or plot including data type and measurement details.", "properties": { "comment": { "description": "Additional notes about the figure or data.", "type": [ "string", "null" ] }, "fields": { "description": "Description of data fields/columns in the figure.", "items": { "$ref": "#/$defs/DataField" }, "type": [ "array", "null" ] }, "measurementType": { "description": "Acronym type for the measurement performed, such as CV, EIS, XPS, etc.", "type": [ "string", "null" ] }, "scanRate": { "anyOf": [ { "$ref": "#/$defs/Quantity" }, { "type": "null" } ], "description": "The rate at which the data has been recorded." }, "simultaneousMeasurements": { "description": "Other measurements performed simultaneously, such as ring current, IR, Raman, ICP-MS.", "items": { "type": "string" }, "type": [ "array", "null" ] }, "type": { "$ref": "#/$defs/FigureDescriptionType", "description": "Source or origin of the data, such as digitized, raw, simulated, or processed." } }, "required": [ "type" ], "title": "FigureDescription", "type": "object" }, "FigureDescriptionType": { "description": "Source or origin of the data.", "enum": [ "digitized", "raw", "simulated", "processed" ], "title": "FigureDescriptionType", "type": "string" }, "Instrumentation": { "additionalProperties": false, "description": "The instruments used to perform the experiment.", "properties": { "manufacturer": { "description": "Manufacturer of the instrument.", "type": [ "string", "null" ] }, "model": { "description": "Model number or designation.", "type": [ "string", "null" ] }, "name": { "description": "Name or identifier of the instrument.", "type": "string" }, "supplier": { "description": "Supplier of the instrument.", "type": [ "string", "null" ] }, "type": { "description": "Type or category of instrument.", "type": [ "string", "null" ] } }, "required": [ "name" ], "title": "Instrumentation", "type": "object" }, "MinimumEchemdb": { "additionalProperties": false, "description": "Minimum set of metadata to describe an electrochemical system for echemdb.", "properties": { "curation": { "$ref": "#/$defs/Curation", "description": "Details on the curation process of the data." }, "experimental": { "$ref": "#/$defs/Experimental", "description": "Details about the experimental setup." }, "figureDescription": { "$ref": "#/$defs/FigureDescription", "description": "Description of the data to a figure or plot." }, "source": { "$ref": "#/$defs/Source", "description": "Information about the source publication or dataset." }, "system": { "$ref": "#/$defs/System", "description": "Description of the experimental system." } }, "required": [ "curation", "system", "figureDescription", "experimental", "source" ], "title": "MinimumEchemdb", "type": "object" }, "Process": { "additionalProperties": false, "description": "A person involved in the data curation process.", "properties": { "date": { "description": "Date when the person performed their role (ISO 8601 format: YYYY-MM-DD).", "format": "date", "type": [ "string", "null" ] }, "name": { "description": "Full name of the person.", "type": "string" }, "orcid": { "description": "An URL containing the ORCID.", "pattern": "^https?://.*$", "type": "string" }, "role": { "$ref": "#/$defs/CurationRole", "description": "Role of the person in the data curation process." } }, "required": [ "role", "name", "orcid" ], "title": "Process", "type": "object" }, "Purity": { "additionalProperties": false, "description": "Purity specifications of a chemical component.", "properties": { "container": { "description": "Name or identifier of the container in which the chemical is stored.", "type": [ "string", "null" ] }, "grade": { "description": "Quality grade designation.", "type": [ "string", "null" ] }, "internalLot": { "description": "Internal LOT or batch number.", "type": [ "string", "null" ] }, "refinement": { "description": "Description of additional purification or treatment performed.", "type": [ "string", "null" ] }, "totalIonConductivity": { "anyOf": [ { "$ref": "#/$defs/Quantity" }, { "type": "null" } ], "description": "Value for the total ionic conductivity measurement." }, "totalOrganicCarbon": { "anyOf": [ { "$ref": "#/$defs/Quantity" }, { "type": "null" } ], "description": "Value for the total organic carbon content measurement." }, "unit": { "description": "Unit for purity value.", "type": [ "string", "null" ] }, "url": { "description": "URL with further details on the purity or container.", "pattern": "^https?://.*$", "type": [ "string", "null" ] }, "value": { "description": "Purity value as a number.", "type": [ "number", "null" ] } }, "title": "Purity", "type": "object" }, "Quantity": { "additionalProperties": false, "description": "A physical quantity with a value, unit, and optional uncertainty.", "properties": { "calculation": { "description": "Method or formula used to calculate this quantity.", "type": [ "string", "null" ] }, "comment": { "description": "Additional notes about the measurement or quantity.", "type": [ "string", "null" ] }, "uncertainty": { "anyOf": [ { "$ref": "#/$defs/Uncertainty" }, { "type": "null" } ], "description": "Uncertainty information for a measured quantity." }, "unit": { "description": "Unit of measurement following astropy's string notation (e.g., 'mol / l', 'V', 'mA / cm2'). Use an empty string for dimensionless quantities.", "type": [ "string", "number", "null" ] }, "value": { "description": "Numerical value of the quantity.", "type": [ "string", "number", "null" ] } }, "title": "Quantity", "type": "object" }, "Shape": { "additionalProperties": false, "description": "Physical dimensions and shape of the electrode.", "properties": { "description": { "description": "Detailed description of the electrode shape.", "type": [ "string", "null" ] }, "diameter": { "anyOf": [ { "$ref": "#/$defs/Quantity" }, { "type": "null" } ], "description": "Diameter of the electrode (for cylindrical shapes)." }, "height": { "anyOf": [ { "$ref": "#/$defs/Quantity" }, { "type": "null" } ], "description": "Height of the electrode." }, "length": { "anyOf": [ { "$ref": "#/$defs/Quantity" }, { "type": "null" } ], "description": "Length of the electrode." }, "type": { "description": "Type or shape of electrode.", "type": [ "string", "null" ] } }, "title": "Shape", "type": "object" }, "Source": { "additionalProperties": false, "description": "Information about the source publication or dataset.", "properties": { "bibdata": { "description": "BibTeX bibliographic data.", "type": [ "string", "null" ] }, "citationKey": { "description": "Unique citation key for bibliographic reference, usually ___.", "type": "string" }, "comment": { "description": "Additional notes about the source.", "type": [ "string", "null" ] }, "curve": { "description": "Specific curve or trace identifier within a figure.", "type": [ "string", "null" ] }, "figure": { "description": "Figure number or identifier from the source including subfigure label.", "type": [ "string", "null" ] }, "originalFilename": { "description": "Original filename of the data file.", "type": [ "string", "null" ] }, "techniques": { "description": "Experimental techniques used in the study.", "items": { "type": "string" }, "type": [ "array", "null" ] }, "url": { "description": "DOI (URL) to the publication or dataset.", "pattern": "^https?://.*$", "type": "string" } }, "required": [ "citationKey", "url" ], "title": "Source", "type": "object" }, "System": { "additionalProperties": false, "description": "Description of the experimental system including electrodes, electrolyte, and environmental conditions.", "properties": { "atmosphere": { "anyOf": [ { "$ref": "#/$defs/Atmosphere" }, { "type": "null" } ], "description": "Atmospheric conditions during the experiment." }, "electrochemicalCell": { "anyOf": [ { "$ref": "#/$defs/ElectrochemicalCell" }, { "type": "null" } ], "description": "Description of the electrochemical cell and its configuration." }, "electrodes": { "description": "List of electrodes used in the electrochemical cell (working, reference, counter electrodes, ring electrodes).", "items": { "$ref": "#/$defs/Electrode" }, "type": "array" }, "electrolyte": { "$ref": "#/$defs/Electrolyte", "description": "The electrolyte solution used in the experiment." }, "type": { "$ref": "#/$defs/SystemType", "description": "Type of experimental system." } }, "required": [ "type", "electrolyte", "electrodes" ], "title": "System", "type": "object" }, "SystemType": { "description": "Type of experimental system.", "enum": [ "electrochemical" ], "title": "SystemType", "type": "string" }, "Uncertainty": { "additionalProperties": false, "description": "Uncertainty information for a measured quantity.", "properties": { "comment": { "description": "Additional information about the uncertainty estimation.", "type": [ "string", "null" ] }, "negativeValue": { "description": "Lower bound (-) for asymmetric uncertainties.", "type": [ "number", "null" ] }, "positiveValue": { "description": "Upper bound (+) for asymmetric uncertainties.", "type": [ "number", "null" ] }, "type": { "$ref": "#/$defs/UncertaintyType", "description": "Type of uncertainty (absolute or relative)." }, "unit": { "description": "Unit of the uncertainty value, following astropy's string notation. Use an empty string for dimensionless quantities.", "type": [ "string", "null" ] }, "value": { "description": "Symmetric uncertainty value (±).", "type": [ "number", "null" ] } }, "title": "Uncertainty", "type": "object" }, "UncertaintyType": { "description": "Type of uncertainty measurement.", "enum": [ "absolute", "relative" ], "title": "UncertaintyType", "type": "string" } }, "$id": "https://echemdb.github.io/metadata-schema/minimum_echemdb", "$schema": "http://json-schema.org/draft-07/schema#", "additionalProperties": true, "description": "Minimum set of metadata to describe an electrochemical system for echemdb.", "metamodel_version": "1.7.0", "properties": { "curation": { "$ref": "#/$defs/Curation", "description": "Details on the curation process of the data." }, "experimental": { "$ref": "#/$defs/Experimental", "description": "Details about the experimental setup." }, "figureDescription": { "$ref": "#/$defs/FigureDescription", "description": "Description of the data to a figure or plot." }, "source": { "$ref": "#/$defs/Source", "description": "Information about the source publication or dataset." }, "system": { "$ref": "#/$defs/System", "description": "Description of the experimental system." } }, "required": [ "curation", "system", "figureDescription", "experimental", "source" ], "title": "minimum_echemdb", "type": "object", "version": null }