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ValidExperimentNMR2DQ

ValidExperimentNMR2DQ[samples]⟹boolean

returns a boolean indicating the validity of an ExperimentNMR2D call for measuring the two-dimensional nuclear magnetic resonance (NMR) spectrum of provided samples.

Details

  • This function runs a series of tests to ensure that the provided inputs/options, when passed to ExperimentNMR2D proper, will return a valid experiment.
    • Input
    Output
    Aliquoting Options
    Data Acquisition Options
    Direct Nucleus Stimulation Options
    Indirect Nucleus Stimulation Options
    Organizational Information Options
    Post Experiment Options
    Preparatory Centrifugation Options
    Preparatory Filtering Options
    Preparatory Incubation Options
    Sample Parameters Options
    Sample Preparation Options
    General Options
    Protocol Options

Examples

Basic Examples  (4)

Obtain an NMR spectrum of a given sample:

Obtain an NMR spectrum of a given sample with no subtype:

Obtain NMR spectra of multiple samples:

Obtain an NMR spectrum of the sample inside a given container:

Options  (3)

OutputFormat  (1)

If OutputFormat -> TestSummary, return a test summary instead of a Boolean:

PreparatoryPrimitives  (1)

Use the PreparatoryPrimitives option to prepare samples from models before the experiment is run:

Verbose  (1)

If Verbose -> Failures, print the failing tests:

Messages  (15)

DeprecatedModels  (1)

If the provided sample has a deprecated model, an error will be thrown:

DirectAcquisitionParametersIncompatible  (1)

If DirectAcquisitionTime, DirectNumberOfPoints, and DirectSpectralDomain are all specified, they must follow the formula DirectAcquisitionTime == (DirectNumberOfPoints * 1e06) / ((Max[DirectSpectralDomain] - Min[DirectSpectralDomain]) * <frequency of NMR for relevant nucleus>):

DiscardedSamples  (1)

If the provided sample is discarded, an error will be thrown:

ExperimentTypeNucleusIncompatible  (1)

If ExperimentType and IndirectNucleus are not compatible, throw an error:

NMRTooManySamples  (1)

If too many samples are used for one protocol, an error will be thrown:

NonStandardSolvent  (1)

If the specified DeuteratedSolvent is not a standard deuterated solvent, throw a warning but continue:

PulseSequenceMustBeTextFile  (1)

If the pulse sequence is specified, the file must be a text file:

PulseSequenceSpecified  (1)

If a pulse sequence is directly specified, throw a warning:

SampleAmountStateConflict  (2)

If SampleAmount is specified, its units must match the units of the input samples:

If SampleAmount is specified, its units must match the units of the input samples after aliquoting:

SampleAmountTooHigh  (1)

If the SampleAmount is above the amount available after sample prep, throw an errror:

TOCSYMixTimeIncompatible  (1)

If ExperimentType is not a TOCSY variant, TOCSYMixTime must be Null:

UnsupportedNMRTube  (1)

If the specified NMRTube are not currently supported by the ECL, an error will be thrown:

ZeroSpectralDomain  (2)

If the length of DirectSpectralDomain is 0 PPM, an error is thrown:

If the length of IndirectSpectralDomain is 0 PPM, an error is thrown:



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