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Object[Analysis, Peaks]

Analysis to find and characterize peaks found in connected {x,y} datapoints.

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[Analysis, Peaks, _String]
    Pattern Description: The object reference of this object.

    Type

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

    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]

    Author

    The person who ran the analysis.
    Format: Single
    Class: Link
    Programmatic Pattern: _Link
    Relation: Object[User]

General

Analysis & Reports

    Position

    A list of the x-coordinates at which the peaks reach their maximum height.
    Format: Multiple
    Class: Real
    Programmatic Pattern: NumericP

    Height

    For each member of Position, the maximum height of the peak at that position, where height is measured as distance from y-coordinate to baseline.
    Format: Multiple
    Class: Real
    Programmatic Pattern: GreaterEqualP[0]

    HalfHeightWidth

    For each member of Position, the width of the peak at that position, where width is defined as the x-distance from WidthRangeStart to WidthRangeEnd (the peak width at half height).
    Format: Multiple
    Class: Real
    Programmatic Pattern: GreaterEqualP[0]

    TangentWidth

    For each member of Position, the base width of the peak at that position, obtained by extrapolating the relatively straight sides of the peak to the baseline.
    Format: Multiple
    Class: Real
    Programmatic Pattern: GreaterEqualP[0]

    TangentWidthLines

    For each member of Position, a linear fit to the relatively straight side of the peak at that position.
    Format: Multiple

    [[1]] Left

      Header: Left
      Class: Expression
      Programmatic Pattern: _Function

    [[2]] Right

      Header: Right
      Class: Expression
      Programmatic Pattern: _Function

    TangentWidthLineRanges

    For each member of Position, the valid range for TangentWidthLines.
    Format: Multiple

    [[1]] Left

      Header: Left
      Class: Expression
      Programmatic Pattern: {NumericP

    [[2]] Right

      Header: Right
      Class: Expression
      Programmatic Pattern: NumericP}

    Area

    For each member of Position, the area of the peak at that position, calculated as the total area from the bottom baseline up to the y-coordinates ranging from PeakRangeStart to PeakRangeEnd .
    Format: Multiple
    Class: Real
    Programmatic Pattern: GreaterEqualP[0]

    PeakRangeStart

    For each member of Position, the x-coordinate where the peak starts, defined as the minimum x-coordinate contained in the peak as determined by the peak picking algorithm.
    Format: Multiple
    Class: Real
    Programmatic Pattern: NumericP

    PeakRangeEnd

    For each member of Position, the x-coordinates where the peak ends, defined as the maximum x-coordinate contained in the peak as determined by the peak picking algorithm.
    Format: Multiple
    Class: Real
    Programmatic Pattern: NumericP

    WidthRangeStart

    For each member of Position, the x-coordinate of the peak where the peak's y-coordinate first reaches half of its maximum height.
    Format: Multiple
    Class: Real
    Programmatic Pattern: NumericP

    WidthRangeEnd

    For each member of Position, the x-coordinate of the peak where the peak's y-coordinate last reaches half of its maximum height.
    Format: Multiple
    Class: Real
    Programmatic Pattern: NumericP

    BaselineIntercept

    For each member of Position, the y-intercept of a linear baseline for the peak, where the linear baseline is fitted either to the start and end of the peak in the local baseline case, or to all the points not included in any peak in the global baseline case.
    Format: Multiple
    Class: Real
    Programmatic Pattern: NumericP

    BaselineSlope

    For each member of Position, the slope of a linear baseline for the peak, where the linear baseline is fitted either to the start and end of the peak in the local baseline case, or to all the points not included in any peak in the global baseline case.
    Format: Multiple
    Class: Real
    Programmatic Pattern: NumericP

    AsymmetryFactor

    For each member of Position, the asymmetry factor calculated as the ratio of the right distance-to-center by the left distance-to-center, taken at 10 percent of the maximum peak height. Values greater than one indicate right skew, values equal to one indicate symmetry, and values less than one indicate left skew.
    Format: Multiple
    Class: Real
    Programmatic Pattern: GreaterEqualP[0]

    TailingFactor

    For each member of Position, the USP tailing ratio, where values greater than one indicate right skew, values equal to one indicate symmetry, and values less than one indicate left skew.
    Format: Multiple
    Class: Real
    Programmatic Pattern: GreaterEqualP[0]

    HalfHeightResolution

    For each member of Position, a vector of USP peak resolution, indicating the seperation of two peaks, calculated from half height width.
    Format: Multiple
    Class: Expression
    Programmatic Pattern: {NumericP..}

    TangentResolution

    For each member of Position, a vector of USP peak resolution, indicating the seperation of two peaks, calculated from tangent width.
    Format: Multiple
    Class: Expression
    Programmatic Pattern: {(NumericP | Null)..}

    AdjacentResolution

    For each member of Position, a USP peak resolution indicating the seperation of two adjacent peaks, calculated from half height width.
    Format: Multiple
    Class: Expression
    Programmatic Pattern: NumericP

    HalfHeightNumberOfPlates

    For each member of Position, the USP plate number for the peak, indicating column efficiency, calculated from half height width.
    Format: Multiple
    Class: Real
    Programmatic Pattern: NumericP

    TangentNumberOfPlates

    For each member of Position, the USP plate number for the peak, indicating column efficiency, calculated from tangent width.
    Format: Multiple
    Class: Real
    Programmatic Pattern: NumericP

    ParentPeak

    For each member of Position, the label of the parent peak from which relative areas and positions are calculated.
    Format: Multiple
    Class: String
    Programmatic Pattern: _String

    RelativeArea

    For each member of Position, the ratio between the area of the peak and the area of the reference peak.
    Format: Multiple
    Class: Real
    Programmatic Pattern: GreaterEqualP[0]

    RelativePosition

    For each member of Position, the ratios between the position of the peak and the position of the reference peak.
    Format: Multiple
    Class: Real
    Programmatic Pattern: _?NumericQ

    RelativeRetentionTime

    For each member of Position, the ratios between the position of the peak and the position of the standard peak.
    Format: Multiple
    Class: Real
    Programmatic Pattern: _?NumericQ

    PeakLabel

    For each member of Position, the label for the peak at that position.
    Format: Multiple
    Class: String
    Programmatic Pattern: _String

    PeakAssignment

    For each member of Position, the putative molecule that each identified peak corresponds to.
    Format: Multiple
    Class: Link
    Programmatic Pattern: _Link
    Relation: Model[Molecule]

    PeakAssignmentLibrary

    Putative peak assignments consulted to assign peaks in this analysis. These assignments will be used when this analysis is used as a template for future analyses.
    Format: Multiple

    [Label]

      Header: Label
      Class: String

    [Model]

    [Position]

      Header: Position
      Class: Real

    [Tolerance]

      Header: Tolerance
      Class: Real

    PeakUnits

    The Units of the peak parameters as specified in the reference data.
    Format: Computable
    Programmatic Pattern: {_Rule...}
    Expression: SafeEvaluate[{Field[Reference], Field[ReferenceField], Field[ReferenceDataSliceDimension]}, Computables`Private`peakUnits[Field[Reference], Field[ReferenceField], Field[ReferenceDataSliceDimension]]]

    Purity

    The purity of the peaks as defined by the total and relative area of each peak with respect to one another and the background, in the form: {Area->{values..},RelativeArea->{percentages..},PeakLabels->{strings..}}.
    Format: Single
    Class: Expression
    Programmatic Pattern: PurityP

    SequenceAnalysis

    The DNA sequencing analysis object relating an identified DNA sequence to this peak-picking analysis.
    Format: Single
    Class: Link
    Programmatic Pattern: _Link
    Relation: Object[Analysis, DNASequencing][PeaksAnalyses]

    StandardAnalysis

    The analysis object relating oligomer fragment sizes to the positions of these peaks.
    Format: Multiple
    Class: Link
    Programmatic Pattern: _Link
    Relation: Object[Analysis, Ladder][PeaksAnalysis]

NMR Peak Splitting

    NMROperatingFrequency

    The resonance frequency at which input NMR data was collected.
    Format: Single
    Class: Real
    Unit: 1 megahertz
    Programmatic Pattern: GreaterP[0 Objects`Private`MegaHertz Mega]

    NMRNucleus

    The nucleus whose spins are being recorded in the input NMR data.
    Format: Single
    Class: String
    Programmatic Pattern: NucleusP

    NMRSplittingGroup

    For each member of Position, the index of the peak splitting group to which each peak belongs.
    Format: Multiple
    Class: Integer
    Programmatic Pattern: GreaterP[0, 1]

    NMRChemicalShift

    The chemical shift of each peak splitting group indexed in NMRSplittingGroup.
    Format: Multiple
    Class: Expression
    Programmatic Pattern: UnitsP[PPM] | UnitsP[PPM] ;; UnitsP[PPM]

    NMRNuclearIntegral

    For each member of NMRChemicalShift, the total area of all peaks in the corresponding peak group.
    Format: Multiple
    Class: Real
    Programmatic Pattern: GreaterP[0.]

    NMRMultiplicity

    For each member of NMRChemicalShift, the multiplicities of the peak splittings in the corresponding peak group.
    Format: Multiple
    Class: Expression
    Programmatic Pattern: {(_Integer | m)..}

    NMRJCoupling

    For each member of NMRChemicalShift, the coupling constant(s) describing any peak splittings in the corresponding peak group.
    Format: Multiple
    Class: Expression
    Programmatic Pattern: {UnitsP[Hertz]...}

    NMRAssignment

    For each member of NMRChemicalShift, the atoms in molecules which contribute to the signal in each peak group.
    Format: Multiple

    [[1]] Molecule

      Header: Molecule
      Class: Expression
      Programmatic Pattern: MoleculeP|Unknown

    [[2]] Atomic Indices

      Header: Atomic Indices
      Class: Expression
      Programmatic Pattern: {_Integer...}

    NMRFunctionalGroup

    For each member of NMRChemicalShift, the chemical substructure assigned to each peak group.
    Format: Multiple
    Class: Expression
    Programmatic Pattern: _MoleculePattern | MoleculeP | Unknown
Last modified on Mon 26 Sep 2022 15:43:43
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