source_data

Metadata schema for source data files in echemdb.

URI: https://echemdb.github.io/metadata-schema/source_data

Name: source_data

Classes

Class	Description
Atmosphere	Atmospheric conditions and gas composition during the experiment
ChemicalIdentifiers	Standard chemical identifiers for unambiguous identification of compounds
Component	A chemical component of the electrolyte solution
ComponentSource	Information about the source and quality of the chemical component
Curation	Details on the curation process of the data
DataDescription	Description of the raw data file format, including CSV dialect, field mapping…
DataField	Description of a data field (column) compatible with frictionless table-schem…
Dialect	CSV dialect specification describing the format of the source data file
ElectrochemicalCell	Description of the electrochemical cell setup and configuration
ElectrochemicalCellComponent	A component or part of the electrochemical cell
ElectrochemicalCellSource	Source information for the electrochemical cell
Electrode	An electrode used in the electrochemical cell, such as working, reference, co…
ElectrodePreparation	Procedures and methods used to prepare the electrode
ElectrodeSource	Information about the source and supplier of the electrode
Electrolyte	The properties and components of the electrolyte solution
ElectrolyteContainer	Container used to prepare or store the electrolyte before the measurement
ElectrolyteContainerComponent	A component of the electrolyte container
Experimental	Details about the configuration of the experimental setup
FieldUnit	Unit specification for a data field, following astropy’s string unit notation
FigureDescription	Description of the data to a figure or plot including data type and measureme…
Instrumentation	The instruments used to perform the experiment
Process	A person involved in the data curation process
Purity	Purity specifications of a chemical component
Quantity	A physical quantity with a value, unit, and optional uncertainty
Shape	Physical dimensions and shape of the electrode
Source	Information about the source publication or dataset
SourceData	Metadata schema for source data files in echemdb, combining system descriptio…
System	Description of the experimental system including electrodes, electrolyte, and…
Uncertainty	Uncertainty information for a measured quantity

Slots

Slot	Description
atmosphere	Atmospheric conditions during the experiment
bibdata	BibTeX bibliographic data
calculation	Method or formula used to calculate this quantity
candidateDelimiters	Optional list of candidate delimiters used when trying to infer the file dial…
cas	CAS Registry Number (Chemical Abstracts Service identifier)
cellDescription	Detailed description of the cell configuration
chemicalIdentifiers	Standard chemical identifiers (CAS, SMILES, InChI, etc
citationKey	Unique citation key for bibliographic reference, usually _<Y…
cleaningProcedure	Procedure used to clean the cell before experiments
columnHeaderLines	Number of lines that make up the column headers
comment	Additional notes about the measurement or quantity
components	Chemical components of the electrolyte including solvents, salts, acids, base…
concentration	Concentration of the component in the electrolyte
container	Name or identifier of the container in which the chemical is stored
crystallographicOrientation	Miller indices of the surface orientation or ‘poly’ for polycrystalline
curation	Details on the curation process of the data
curve	Specific curve or trace identifier within a figure
dataDescription	Description of the raw data file format
date	Date when the person performed their role (ISO 8601 format: YYYY-MM-DD)
decimal	Character used as decimal separator
delimiter	Column delimiter character used in the data file
description	Detailed description of the electrode (especially for custom-made electrodes)
dialect	CSV dialect specification describing the format of the source data file
diameter	Diameter of the electrode (for cylindrical shapes)
dimension	Physical dimension of the field (e
echemdbSchemaVersion	Version of the echemdb metadata schema this data conforms to
electrochemicalCell	Description of the electrochemical cell and its configuration
electrodes	List of electrodes used in the electrochemical cell (working, reference, coun…
electrolyte	The electrolyte solution used in the experiment
electrolyteContainer	Container used to prepare or store the electrolyte before the measurement
encoding	Character encoding of the data file
experimental	Details about the experimental setup
fields	Description of data fields/columns in the figure
fieldUnits	List of fields with their units and optional reference electrodes
figure	Figure number or identifier from the source including subfigure label
figureDescription	Description of the data to a figure or plot
flow	Flow rate for gaseous components
format	Format specification for the field type (default, email, uri, binary, uuid fo…
function	Role of the electrode in the electrochemical cell
geometricElectrolyteContactArea	Geometric surface area of electrode in contact with electrolyte
grade	Quality grade designation
headerLines	Number of header lines to skip before the column headers
height	Height of the electrode
inchi	InChI (International Chemical Identifier) string
inchikey	InChIKey (hashed InChI for easier searching)
instrumentation	Instruments and equipment used in the experiment
internalLot	Internal LOT or batch number
length	Length of the electrode
lot	LOT or batch number
manufacturer	Name of the electrode manufacturer
material	Chemical symbol or abbreviation of the electrode material
measurementType	Acronym type for the measurement performed, such as CV, EIS, XPS, etc
model	Model number or designation
name	Full name of the person
negativeValue	Lower bound (-) for asymmetric uncertainties
orcid	An URL containing the ORCID
orientation	Axis orientation in plots (horizontal for x-axis, vertical for y-axis)
originalFilename	Original filename of the data file
part	Part number or designation
partialPressure	Partial pressure of a gaseous / volatile component
ph	pH value of the electrolyte solution
positiveValue	Upper bound (+) for asymmetric uncertainties
preparationProcedure	Procedures used to prepare the electrode before measurement
pressure	Pressure for gaseous components
process	List of people involved in creating, recording, or curating this data
proportion	Proportion of the component (e
purity	Purity specifications of the electrode material
quality	Quality grade of the chemical
redoxSystem	Name of the reference electrode redox system (RHE, SCE, Ag/AgCl, etc
reference	Reference electrode or reference point for this measurement (electrochemistry…
refinement	Description of additional purification or treatment performed
role	Role of the person in the data curation process
scanRate	The rate at which the data has been recorded
shape	Physical shape and dimensions of the electrode
simultaneousMeasurements	Other measurements performed simultaneously, such as ring current, IR, Raman,…
smiles	SMILES (Simplified Molecular Input Line Entry System)
source	Information about the source publication or dataset
supplier	Name of the supplier
system	Description of the experimental system
tags	Keywords or tags describing the experiment, such as BCV, ORR, COOR, XPS, or M…
techniques	Experimental techniques used in the study
temperature	Temperature of the electrolyte during the experiment
title	A human-readable title for this field
totalIonConductivity	Value for the total ionic conductivity measurement
totalOrganicCarbon	Value for the total organic carbon content measurement
type	Type of uncertainty (absolute or relative)
uncertainty	Uncertainty information for a measured quantity
unit	Unit of measurement following astropy’s string notation (e
url	URL with further details on the purity or container
value	Numerical value of the quantity

Enumerations

Enumeration	Description
ComponentType	Role or function of the component in the electrolyte
CurationRole	Role of a person in the data curation process
ElectrodeFunction	Role of the electrode in the electrochemical cell
ElectrolyteType	Type of electrolyte defined by the solvent
FieldOrientation	Axis orientation in plots
FigureDescriptionType	Source or origin of the data
SystemType	Type of experimental system
UncertaintyType	Type of uncertainty measurement

Types

Type	Description
Boolean	A binary (true or false) value
Curie	a compact URI
Date	a date (year, month and day) in an idealized calendar
DateOrDatetime	Either a date or a datetime
Datetime	The combination of a date and time
Decimal	A real number with arbitrary precision that conforms to the xsd:decimal speci…
Double	A real number that conforms to the xsd:double specification
Float	A real number that conforms to the xsd:float specification
HttpUrl	A valid HTTP or HTTPS URL, including DOIs
Integer	An integer
Jsonpath	A string encoding a JSON Path
Jsonpointer	A string encoding a JSON Pointer
Ncname	Prefix part of CURIE
Nodeidentifier	A URI, CURIE or BNODE that represents a node in a model
Objectidentifier	A URI or CURIE that represents an object in the model
Sparqlpath	A string encoding a SPARQL Property Path
String	A character string
Time	A time object represents a (local) time of day, independent of any particular…
Uri	a complete URI
Uriorcurie	a URI or a CURIE

Subsets

Subset	Description