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Object[Data, XRayDiffraction]

X-ray diffraction data as measured by a diffractometer.

Organizational Information

    Name

    Name of this Object.
    Format: Single
    Class: String
    Programmatic Pattern: _String
    Pattern Description: A string.

    ID

    ID of this Object.
    Format: Single
    Class: String
    Programmatic Pattern: _String
    Pattern Description: The ID of this object.

    Object

    Object of this Object.
    Format: Single
    Class: Expression
    Programmatic Pattern: Object[Data, XRayDiffraction, _String]
    Pattern Description: The object reference of this object.

    Type

    Type of this Object.
    Format: Single
    Class: Expression
    Programmatic Pattern: Object[Data, XRayDiffraction]
    Pattern Description: Object[Data, XRayDiffraction]

    Notebook

    Notebook this object belongs to.
    Format: Single
    Class: Link
    Programmatic Pattern: _Link
    Pattern Description: An object of that matches ObjectP[Object[LaboratoryNotebook]].
    Relation: Object[LaboratoryNotebook][Objects]

    Replicates

    Data acquired under replicated experimental conditions to this data.
    Format: Multiple
    Class: Link
    Programmatic Pattern: _Link
    Relation: Object[Data][Replicates]

General

Analysis & Reports

    StructureAnalyses

    The resolved crystal structure analysis using this diffraction pattern as source data.
    Format: Multiple
    Class: Link
    Programmatic Pattern: _Link
    Relation: Object[Analysis][Reference]

    DiffractionPeaksAnalyses

    Peak picking analysis conducted on the powder X-ray diffraction pattern.
    Format: Multiple
    Class: Link
    Programmatic Pattern: _Link
    Relation: Object[Analysis][Reference]

    SmoothingAnalyses

    Smoothing analysis performed on this data.
    Format: Multiple
    Class: Link
    Programmatic Pattern: _Link
    Relation: Object[Analysis][Reference]

Experimental Results

    DiffractionSpectrum

    The diffraction pattern of a powder X-ray diffraction experiment.
    Format: Single
    Class: QuantityArray
    Unit: ['1 degree', '1 ArbitraryUnits']
    Programmatic Pattern: QuantityCoordinatesP[{AngularDegree, ArbitraryUnit}]

    BlankedDiffractionSpectrum

    The diffraction pattern of a powder X-ray diffraction experiment with background removed.
    Format: Single
    Class: QuantityArray
    Unit: ['1 degree', '1 ArbitraryUnits']
    Programmatic Pattern: QuantityCoordinatesP[{AngularDegree, ArbitraryUnit}]

    DiffractionImages

    All images of the diffraction patterns of the sample.
    Format: Multiple
    Class: BigCompressed
    Programmatic Pattern: Graphics_

    SampleImages

    All images of the sample itself during the experiment.
    Format: Multiple
    Class: BigCompressed
    Programmatic Pattern: Graphics_

Instrument Specifications

    ExperimentType

    Indicates the type of X-ray diffraction experiment that was performed.
    Format: Single
    Class: Expression
    Programmatic Pattern: XRDExperimentTypeP

    BeamPower

    The beam power used in generating the X-rays that created this diffraction dataset.
    Format: Single
    Class: Real
    Unit: 1 watt
    Programmatic Pattern: GreaterEqualP[0 Watt]

    Voltage

    The voltage used in generating the X-rays that created this diffraction dataset.
    Format: Single
    Class: Real
    Unit: 1 volt
    Programmatic Pattern: GreaterEqualP[0 Volt]

    Current

    The current used in generating the X-rays that created this diffraction dataset.
    Format: Single
    Class: Real
    Unit: 1 ampere
    Programmatic Pattern: GreaterEqualP[0 Ampere]

    ExposureTime

    The length of time the detector was exposed for each frame of the diffraction.
    Format: Single
    Class: Real
    Unit: 1 second
    Programmatic Pattern: GreaterEqualP[0 Second]

Data Processing

    Reflections

    A list of all measured X-ray reflections observed and their corresponding indices (in accordance with Bragg's Law).
    Format: Multiple

    [hIndex]

      Header: hIndex
      Class: Integer

    [kIndex]

      Header: kIndex
      Class: Integer

    [lIndex]

      Header: lIndex
      Class: Integer

    [Intensity]

      Header: Intensity
      Class: Real

    [IntensityError]

      Header: IntensityError
      Class: Real

    [Run]

      Header: Run
      Class: Integer

    RawDataFile

    The file containing all raw data pertaining to the X-ray experiment zipped into one directory.
    Format: Single
    Class: Link
    Programmatic Pattern: _Link
    Relation: Object[EmeraldCloudFile]
Last modified on Mon 26 Sep 2022 15:43:44
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