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PlotChromatographyMassSpectra

PlotChromatographyMassSpectra[dataObject]plot

displays either a 2D (sliced) or 3D (waterfall) plot of the LCMS data in the supplied dataObject.

Details

  • PlotChromatographyMassSpectra uses pre-computed, downsampled LCMS data linked to the input object(s) to generate plots.
  • Downsampled data is linked through the DownsamplingAnalyses field of the input data object.
  • By default, the most recent downsampling analysis is used in the plot. Use the DownsampledData option to plot data from a specific downsampling analysis.
  • All LCMS data is downsampled to a time resolution of 1 second when uploaded. Data can be re-analyzed with different downsampling rates using AnalyzeDownsampling.
  • Input
    Output
    3D View Options
    Box Options
    Frame Options
    Grid Options
    Image Format Options
    LCMS Data Options
    Legend Options
    Peaks Options
    Plot Labeling Options
    Plot Range Options
    Plot Style Options
    General Options

Examples

Basic Examples  (4)

Visualize the changing mass spectrum in LCMS data as a function of elution time:

Plot the average mass spectra at specified elution times:

Plot extracted ion chromatograms for specific ranges of m/z:

PlotChromatographyMassSpectra is Listable:

Options  (24)

DownsampledData  (1)

Explicitly specify which downsampling analysis object linked to the input to use for plotting. Automatic defaults to the most recent downsampling analysis:

ExcludeRange  (2)

Specify one or more ranges of m/z values to exclude from a MassSpectrum plot:

Specify one or more ranges of m/z values to exclude from a waterfall plot:

ExtractedIonMassRange  (2)

By default, ExtractedIonMassRange will default to the entire range of m/z, producing a plot equivalent to the TotalIonCurrent:

Specify a list of one or more m/z ranges:

ExtractedIonReductionFunction  (1)

Specify the function by which slices of m/z should be reduced into a single trace. Here, track the maximal intensity at each time point for the given ranges of m/z:

MassSpectrumReductionFunction  (1)

Specify the function by which slices across a time range should be reduced into a single trace. Here, we take the maximal intensity at each m/z for the given time range:

MassSpectrumTimeRange  (2)

By default, MassSpectrumTimeRange will default to the entire time range and the mass spectrum will reflect the average intensity across all time points:

Specify a list of one or more time ranges to extract mass spectra from:

NumberOfWaterfallSlices  (2)

By default, seven waterfall slices at evenly spaced time points are drawn when PlotType->WaterfallPlot:

Draw only five waterfall slices:

Peaks  (2)

Plot peaks picked from a mass spectrum. The plot will set PlotType and MassSpectrumTimeRange to match the peak-picking analysis automatically:

Plot peaks picked from an extracted ion chromatogram. The plot will set PlotType and ExtractedIonMassRange to match the peak-picking analysis automatically:

PlotType  (6)

Plot the absorbance chromatogram collected alongside LCMS data:

Plot the total ion current (TIC), the total mass spectrum intensity at each time point:

Plot the base peak chromatogram (BPC), the maximum mass spectrum intensity at each time point:

Plot the average mass spectrum (MS) between 2.0 and 2.5 minute elution times:

Plot the extracted ion chromatogram (EIC) of average intensity for m/z between 685 and 688:

Generate a waterfall plot showing the evolution of mass spectra as a function of elution time:

ShowNoiseThreshold  (1)

Set ShowNoiseThreshold to True with PlotType of MassSpectrum to show the noise threshold (set during downsampling) below which intensity values are treated as zero:

WaterfallReductionFunction  (2)

By default, each waterfall represents the average of even slices of the input data on the time axis:

Generate a waterfall plot showing the maximum mass spectra intensities for evenly-spaced slices in time:

WaterfallReferencePlot  (2)

When available, PlotChromatographyMassSpectra will use the Absorbance chromatogram as a reference for elution time with PlotType->WaterfallPlot:

Disable the waterfall plot reference by setting WaterfallReferencePlot to None:

Messages  (6)

DataFormat  (1)

Error and return $Failed if for some reason the linked Downsampled data file does not resolve to a sparse array:

DownsampledDataNotFound  (1)

Downsampled data is required for plotting. If an object is missing downsampled data, please run AnalyzeDownsampling on it to precompute data for plotting:

DownsampledDataNotReady  (1)

Downsampled data is required for plotting. Newly updated objects will be downsampled automatically by the ECL. Please check back later, or run AnalyzeDownsampling if results are needed immediately:

InvalidDataDimensions  (1)

Error and return $Failed if for some reason the linked Downsampled data file has inconsistent dimensions with its sampling points:

MissingLCTrace  (1)

Error shows if the AbsorbanceChromatogram is requested from a data object with an empty Absorbance field:

WaterfallSidePlotMissing  (1)

Warning shows if a reference plot is requested that cannot be found, e.g. if the AbsorbanceChromatogram is requested for a data object with an empty Absorbance field: