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xps metadata draft.json
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{
"$schema": "http://json-schema.org/draft-07/schema#",
"title": "xps metadata version 0.1",
"description": "a metadata schema for user uploads of xps data sets",
"type": "object",
"definitions": {
"Instrument": {
"description": "Metadata of the instrument or instrument configuration the dataset was measured using",
"type": "object",
"properties": {
"InstrumentID": {
"description": "A unique identifier of the instrument",
"$id": "#instrumentid",
"type": "string"
},
"Instrument manufacturer": {
"description": "The name of the company that manufactured the spectrometer",
"type": "string",
"enum": [
"SPECS GmbH",
"Kratos",
"Physical Electronics",
"Scienta",
"Thermo Fischer Scientific"
]
},
"Intrument model": {
"description": "The name of the instrument model",
"type": "string"
},
"Analyzer radius": {
"description": "The radius of the hemispherical analyzer in mm",
"type": "integer"
},
"Serial number": {
"description": "manufactuerer's unique serial number",
"type": "string"
},
"Year installed": {
"description": "the year the instrument was put into operation",
"type": "integer"
},
"Detector type": {
"description": "The kind of detector used in the instrument",
"type": "string"
},
"Excitation sources": {
"description": "The excitation sources used with this instrument",
"type": "array",
"items": [{"$ref": "#/definitions/Excitation source"}]
},
"Additional information": {
"description": "Space to enter additional configuration information",
"type": "string"
}
},
"required": [
"InstrumentID",
"Instrument model"
]
},
"Laboratory": {
"description": "The metadata of the laboratory or department where the data was measured",
"type": "object",
"properties": {
"LaboratoryID": {
"description": "A unique identifier for the laboratory",
"$id": "#laboratoryid",
"type": "string"
},
"Name": {
"description": "The name of the laboratory or depatment",
"type": "string"
},
"Country": {
"description": "The country in which the laboratory is located",
"$ref": "#country"
},
"City": {
"description": "The city in which the laboratory is located",
"type": "string",
"$ref":"cities.json#/definitions/City/name"
},
"Instruments": {
"description": "A list of instruments associated with the laboratory",
"type": "array",
"items": {"$ref": "#instrumentid"},
"minItems": 0,
"uniqueItems": true
}
},
"required": [
"LaboratoryID",
"Name",
"Country",
"City"
]
},
"Sample": {
"description": "The metadata of the sample from which the dataset was measured",
"type": "object",
"properties": {
"SampleID": {
"description": "A unique identifier assigned to the sample",
"$id": "#sampleid",
"type": "string"
},
"Name": {
"description": "A user entered name given to the sample",
"type": "string",
"$ref": "#vamassampleid"
},
"Composition": {
"description": "Keywords to describe which materials are present in the sample",
"type": "object",
"properties": {
"Major components": {
"description": "List of the main components in the sample",
"type": "array",
"items": {"type": "string"},
"minItems": 1,
"uniqueItems": true
},
"Minor components": {
"description": "List of the minor components in the sample",
"type": "array",
"items": {"type": "string"},
"minItems": 0,
"uniqueItems": true
}
}
},
"Form": {
"description": "Keywords describing the physical form of the sample",
"type": "array",
"items": {"type": "string"},
"minItems": 1,
"uniqueItems": true
},
"Ex-situ preparation": {
"description": "Explanation of steps taken to prepare and mount the sample prior to loading into the measurement instrument",
"type": "string"
},
"In-situ preparation": {
"description": "Explanation of steps taken to prepare and mount the sample after loading into the measurement instrument",
"type": "string"
}
},
"required": [
"Name",
"Composition",
"Form"
]
},
"Spectrum": {
"description": "Metadata describing an individual spectrum in a dataset",
"type": "object",
"properties": {
"Excitation energy": {
"description": "The energy of the excitation source that was used to probe the sample in generating the spectrum",
"type": "object",
"properties": {
"Energy": {
"description": "The numerical value of the excitation energy used",
"type": "number",
"$ref": "#vamassourceenergy"
},
"Units": {
"description": "The units used to report the excitation energy",
"type": "string",
"enum": ["eV, keV"],
"default": "eV"
}
}
},
"SpectrumID": {
"description": "A unique identifier assigned to the spectrum",
"$id": "#spectrumid",
"type": "string"
},
"Spectrum type": {
"description": "an array of element and emission lines",
"type": "array",
"items": {"allOf": [
{"$ref": "#vamasspecieslabel"},
{"$ref": "#vamastransitionlabel"}
]},
"enum": [{"$ref": "emissionlines"}],
"minItems": 1,
"uniqueItems": true
},
"Pass Energy": {
"description": "the pass energy used to measure the spectrum. Given in units of eV",
"type": "number",
"$ref": "#vamasresolution"
},
"Lens mode": {
"description": "The lens mode used to measure the spectrum",
"type": "string"
},
"Dwell time": {
"description": "The time spent on each data point in a single scan in milliseconds",
"type": "number",
"$ref": "#vamasdwelltime"
},
"Step size": {
"description": "The distance between points in the abcissa. In units of eV.",
"type": "number",
"$ref": "#vamasstep"
},
"Number of scans averaged": {
"description": "The number of scans that has been averaged together",
"type": "integer",
"$ref": "#vamasnoscans"
}
},
"required": [
"Excitation energy",
"Spectrum type",
"Pass energy"
]
},
"Dataset": {
"description": "The metadata describing a dataset",
"type": "object",
"properties": {
"DatasetID": {
"description": "A unique identifier of the dataset",
"$id": "#datasetid",
"type": "string"
},
"Date measured": {
"description": "The date the dataset was measured",
"type": "array",
"items": [
{"$ref": "#vamasyear"},
{"$ref": "#vamasmonth"},
{"$ref": "#vamasday"}
]
},
"Spectra": {
"description": "A list of the spectra belonging to the dataset",
"type": "array",
"items": {
"description": "A reference to a unique spectrum",
"$ref": "#spectrumid"
},
"minItems": 1,
"uniqueItems": true
},
"Conditions": {
"description": "A description of the conditions used while the dataset was measured.",
"type": "object",
"properties": {
"Temperature": {
"description": "The average temperature of the sample when the dataset was measured",
"type": "object",
"properties": {
"Value": {
"description": "The numerical value of the temperature",
"type": "number"
},
"Units": {
"description": "The units the temperature is reported in.",
"type": "string"
}
}
},
"Pressure": {
"description": "The average pressure of the sample's ambient environment when the dataset was measured",
"type": "object",
"properties": {
"Value": {
"description": "The numerical value of the pressure",
"type": "number"
},
"Units": {
"description": "The units the pressure is reported in.",
"type": "string"
}
}
},
"Ambient composition": {
"description": "The composition of the ambient atmosphere in which the sample was measured",
"type": "array",
"items": {
"description": "A list of all chemicals and their concentrations that were present in the ambient when the sample was measured",
"type": "object",
"properties": {
"chemical formula": {
"description": "The chemical composition of a component in the ambient environment that the sample was in during measurement of the dataset",
"type": "string"
},
"concentration": {
"type": "object",
"properties": {
"value": {
"description": "the numerical value of the component's concentration",
"type": "number"
},
"units": {
"description": "The units used in reporting the concentration",
"type": "string"
}
}
}
}
}
}
}
},
"Link to publication": {
"description": "A reference to a persistent identifier for the dataset",
"type": "string"
},
"InstrumentID": {
"description": "A reference to the unique spectrometer used to measure the dataset",
"type": "string",
"$ref": "#instrumentid"
},
"Spectrometer settings": {
"description": "The spectrometer settings and configuration that remained constant while measuring the dataset",
"type": "object",
"properties": {
"Analyzer mode": {
"description": "The scan mode the analyzer used during measurement of the dataset",
"type": "string",
"enum": [
"FAT",
"FRR",
"Snapshot",
"Imaging"
]
},
"Analyzer analysis area": {
"description": "The size of the area from the sample that was measured",
"type": "object",
"properties": {
"area": {"type": "number"},
"units": {"type": "string"}
}
},
"Source strength": {
"description": "The strength of the excitation source used during the measurement",
"type": "object",
"properties": {
"strength": {"type": "number"},
"units": {"type": "string"}
}
},
"Source beam size": {
"description": "The size of the excitation beam on the sample during measurment",
"type": "object",
"properties": {
"x": {
"description": "The dimension of the beam in the x direction",
"type": "number"
},
"y": {
"description": "The dimension of the beam in the y direction",
"type": "number"
},
"units": {
"description": "The units used to report the beam size",
"type": "string"
}
}
},
"Take-off angle": {
"description": "The angle in degree between the sample's surface normal vector and the analyzer's lens axis",
"type": "number"
},
"Analyzer acceptance angle": {
"description": "The acceptance angle in degrees of the spectrometer during the measurement of the dataset",
"type": "number"
},
"Entrance slit": {
"descritpion": "The size of the entrance aperture to the analyzer in units of mm",
"type": "string"
}
}
},
"UserID": {
"description": "A unique reference to the user who uploaded the data",
"$ref": "#userid"
},
"SampleID": {
"description": "A reference to the sample from which the dataset was measured",
"$ref": "#sampleid"
}
},
"required": [
"DatasetID",
"SampleID",
"UserID",
"Date measured",
"Spectra",
"InstrumentID"
]
},
"Instrument calibration": {
"description": "Information on the calibration procedure used to calibrate the instrument",
"type": "object",
"properties": {
"Protocol": {
"description": "The protocol used for calibrating the spectrometer",
"type": "string",
"enum": [
"ISO 15472:2010",
"ISO 15472:2001"
]
},
"Values": {
"description": "The binding energy values obtained from the calibrated spectrometer of the standard elements",
"type": "array",
"items": {
"type": "object",
"properties": {
"Emission line": {
"description": "The emission line used for calibration",
"type": "string",
"enum": [
"Au4f7/2",
"Cu2p3/2",
"Ag3d5/2",
"Fermi"
]
},
"Binding energy": {
"description": "The calibrated binding energy value of the specified emission line in units of eV",
"type": "number"
}
}
},
"minItems": 1,
"uniqueItems": true
},
"Calibration date": {
"description": "The date the calibration was performed",
"type": "string"
},
"DatasetID": {
"description": "A link to the dataset",
"$ref": "#datasetid"
}
}
},
"Binding energy reference": {
"description": "binding energy scale adjustment, used in cases where samples are not conductive",
"type": "object",
"properties": {
"Emission line": {
"type": "string",
"enum": [
"C1s",
"O1s",
"Au4f7/2",
"Fermi level"
]
},
"Binding energy": {
"description": "The binding energy that the specified emission line appeard at, after adjusting the binding energy scale, in units of eV",
"type": "number"
}
}
},
"User": {
"description": "Metadata of a registered user in the system",
"type": "object",
"properties": {
"UserID": {
"description": "A unique identifier of the user",
"$id": "#userid",
"type": "string"
},
"Given name": {
"description": "The given name of the user",
"type": "string"
},
"Family name": {
"description": "The family name of the user",
"type": "string"
},
"Email": {
"description": "Email addresses of the user",
"type": "array",
"items": {
"description": "email addresses",
"type": "string"
},
"minItems": 1,
"uniqueItems": true
},
"Laboratories": {
"description": "A list of laboratories that the user is affiliated with",
"type": "array",
"items": {"$ref": "#laboratoryid"},
"minItems": 0,
"uniqueItems": true
},
"Instruments": {
"description": "A list of spectrometers associated with the user",
"type": "array",
"items": {"$ref": "#instrumentid"},
"minItems": 0,
"uniqueItems": true
},
"Uploaded datasets": {
"description": "A list of datasets uploaded by the user",
"type": "array",
"items": {"$ref": "#datasetid"},
"minItems": 0,
"uniqueItems": true
},
"Favorite datasets": {
"description": "A list of datasets that the user has marked as favorite",
"type": "array",
"items": {"$ref": "#datasetid"},
"minItems": 0,
"uniqueItems": true
}
}
},
"VAMAS": {
"description": "Metadata contained in the VAMAS file format",
"type": "object",
"properties": {
"header": {
"description": "VAMAS file header",
"type": "object",
"properties": {
"formatID": {
"description": "A description of the data format standard used",
"type": "string"
},
"instituteID": {
"description": "The name of the institute from which the data came",
"type": "string"
},
"instrumentModelID": {},
"operatorID": {},
"experimentID": {},
"noCommentLines": {},
"commentLines": {},
"expMode": {
"description": "A keyword that denotes what kind of experiment was performed in the dataset. If the keyword is MAP, then each spectrum was measured from a point on a 2D spatial array. If SDP each spectrum refers to a specific layer in a depth profile. If MAPDP, each spectrum refers to a spectrum in a map and at a specific depth in a depth profile. If NORM, each spectrum may be independant from the others.",
"type": "string",
"ennum": [
"MAP",
"SDP",
"MAPDP",
"NORM",
"MAPSV",
"SDPSV",
"SEM",
"MAPSVDP"
],
"default": "NORM"
},
"scanMode": {
"description": "A keyword that specifies whether the abscissa values have a constant spacing, an irregular spacing, or whether the data is a map",
"type": "string",
"enum": [
"REGULAR",
"IRREGULAR",
"MAPPING"
]
},
"expVarLabel": {},
"expVarUnit": {},
"noBlocks": {}
}
},
"block": {
"description": "A collection of spectral data and metadata",
"type": "object",
"properties": {
"blockID": {
"description": "The name of the data block",
"type": "string",
"$id": "#vamasblockid"
},
"sampleID": {
"description": "The name of the sample",
"type": "string",
"$id": "#vamassampleid"
},
"year": {"$id": "#vamasyear"},
"month": {"$id": "#vamasmonth"},
"day": {"$id": "#vamasday"},
"hour": {},
"minute": {},
"second": {},
"noHrsInAdvanceOfGMT": {},
"noCommentLines": {},
"technique": {
"description": "A keyword that specifies the technique used to measure the data",
"type": "string",
"enum": [
"XPS",
"AES diff",
"AES dir",
"EDX",
"ELS",
"FABMS",
"ISS",
"SIMS",
"SNMS",
"UPS",
"XRF"
]
},
"expVarValue": {},
"sourceLabel": {},
"sourceEnergy": {
"description": "The energy of the excitation source in eV",
"type": "number",
"$id": "#vamassourceenergy"
},
"sourceAnalyzerAngle": {
"description": "The angle between the excitation source and the analyzer lens axis",
"type": "number",
"$id": "#vamassourceanalyzerangle"
},
"analyzerMode": {
"description": "Measurement mode of the analyzer",
"type": "string",
"enum": [
"FAT",
"FRR"
],
"$id": "#vamasanalyzermode"
},
"resolution": {
"description": "The resolution of the instrument during spectrum measurement. For XPS it corresponds to pass energy",
"type": "number",
"$id": "#vamasresolution"
},
"magnification": {},
"workfunction": {},
"targetBias": {},
"analyzerWidthX": {},
"analyzerWidthY": {},
"analyzerTakeOffPolarAngle": {},
"analyzerAzimuth": {},
"speciesLabel": {
"description": "A label to identify the element of the specrtrum",
"type": "string",
"$id": "#vamasspecieslabel"
},
"transitionLabel": {
"description": "A label that specifies the transition, a.k.a. emission line",
"type": "string",
"$id": "#vamastransitionlabel"
},
"particleCharge": {},
"abscissaLabel": {
"description": "The variable name for the abscissa data",
"type": "string",
"enum": [
"kinetic energy",
"binding energy"
],
"$id": "#vamasabscissalabel"
},
"abscissaUnits": {
"description": "The units used for the abscicca data",
"type": "string",
"$ref": "#units",
"$id": "#vamasabscissaunits"
},
"abscissaStart": {},
"abscissaStep": {
"description": "Step size of the abscissa",
"type": "number",
"$id": "#vamasstep"
},
"noVariables": {},
"variableLabel1": {
"description": "The label of the ordinate data",
"type": "string",
"$id": "#vamasvar1label"
},
"variableUnits1": {
"description": "The units used for the first experimental variable",
"type": "string",
"$ref": "#units"
},
"variableLabel2": {},
"variableUnits2": {
"description": "The units used for the second experimental variable",
"type": "string",
"$ref": "#units"
},
"signalMode": {
"description": "The signal counting mode used to measure the data",
"type": "string",
"enum": [
"analogue",
"pulse counting"
]
},
"dwellTime": {
"description": "The integration time used for each abscicca value",
"type": "number",
"$id": "#vamasdwelltime"
},
"noScans": {
"description": "The number of scans used to make the spectrum",
"type": "integer",
"$id": "#vamasnoscans"
},
"timeCorrection": {},
"sampleAngleTilt": {},
"sampleTiltAzimuth": {},
"sampleRotation": {},
"noAdditionalParameters": {},
"paramLabel1": {},
"paramUnit1": {},
"paramValue1": {},
"paramLabel2": {},
"paramUnit2": {},
"paramValue2": {},
"numOrdValues": {},
"minOrdValue1": {},
"maxOrdValue1": {},
"minOrdValue2": {},
"maxOrdValue2": {},
"dataString": {
"description": "The numerical data of the spectrum",
"type": "array",
"items": {"type": "number"}
}
}
}
}
},
"Units": {
"description": "The physical units used for measured properties. The abreviations have the following meanings. 'c/s': counts per second, 'd': dimensionless, 'degree': angle in degrees, 'eV': electronvolts, 'K': Kelvin, 'micro C':microcoulombs, 'micro m': micrometers, 'm/s':meters per second, 'n': not defined, 'nA': nanoamps, 'ps': picoseconds, 's':seconds, 'u': unified atomic mass units, 'V':volts",
"type": "string",
"enum": [
"eV",
"u",
"s",
"c/s",
"d",
"degree",
"K",
"micro C",
"micro m",
"m/s",
"n",
"nA",
"ps",
"u",
"V"
],
"$id": "#units"
},
"Emission lines": {
"description": "All the allowed values for emission line labels",
"type": "array",
"$id": "#emissionlines",
"items": {"enum": [
[
"Ac",
"4d"
],
[
"Ac",
"4d3/2"
],
[
"Ac",
"4d5/2"
],
[
"Ac",
"4f"
],
[
"Ac",
"4f5/2"
],
[
"Ac",
"4f7/2"
],
[
"Ac",
"4p"
],
[
"Ac",
"4p1/2"
],
[
"Ac",
"4p3/2"
],
[
"Ac",
"5d"
],
[
"Ac",
"5d3/2"
],
[
"Ac",
"5d5/2"
],
[
"Ac",
"5p"
],
[
"Ac",
"5p1/2"
],
[
"Ac",
"5p3/2"
],
[
"Ac",
"5s"
],
[
"Ag",
"3d"
],
[
"Ag",
"3d3/2"
],
[
"Ag",
"3d5/2"
],
[
"Ag",
"3p"
],
[
"Ag",
"3p1/2"
],
[
"Ag",
"3p3/2"
],
[
"Ag",
"3s"
],
[
"Ag",
"4d"
],
[
"Ag",
"4d3/2"
],
[
"Ag",
"4d5/2"
],
[
"Ag",
"4p"
],
[
"Ag",
"4p1/2"
],
[
"Ag",
"4p3/2"
],
[
"Ag",
"4s"
],
[
"Ag",
"MNN"
],
[
"Al",
"2p"
],
[
"Al",
"2p1/2"
],
[
"Al",
"2p3/2"
],
[
"Al",
"2s"
],
[
"Al",
"3s"
],
[
"Al",
"KLL"
],
[
"Al",
"LMM"
],
[
"Ar",
"2p"
],
[
"Ar",
"2p1/2"
],
[
"Ar",
"2p3/2"
],
[
"Ar",
"2s"
],
[
"Ar",
"3p"
],
[
"Ar",
"3p1/2"
],
[
"Ar",
"3p3/2"
],
[
"Ar",
"3s"
],
[
"Ar",
"LMM"
],
[
"As",
"3d"
],
[
"As",
"3d3/2"
],
[
"As",
"3d5/2"
],
[
"As",
"3p"
],
[
"As",
"3p1/2"
],
[
"As",
"3p3/2"
],
[
"As",
"3s"
],
[
"As",
"4p"
],
[
"As",
"4p1/2"
],
[
"As",
"4p3/2"
],
[
"As",
"LMM"
],
[
"At",
"4d"
],