Interface NmrJcampOptions

interface NmrJcampOptions {
    factor?: Record<OneLowerCase, number>;
    info?: Record<string, any>;
    meta?: Record<string, any>;
    nmrInfo: NmrJcampInfo;
    xyEncoding?: XYEncoding;
}

Hierarchy

Properties

factor? info? meta? nmrInfo xyEncoding?

Properties

Optionalfactor

factor?: Record<OneLowerCase, number>

factor to scale the variables data

Optionalinfo

info?: Record<string, any>

standardize meta data defined in a nmr jcamp like

Default

{}

Optionalmeta

meta?: Record<string, any>

meta data information that will be placed in a ##$ labeled data record. Objects will be stringified.

Default

{}

nmrInfo

nmrInfo: NmrJcampInfo

NMR-specific metadata and parameters used for JCAMP generation.

  • isFid: Whether the data is a free induction decay (FID) or spectrum.
  • digitalFilter: Number of points to shift for FFT (raw data only).
  • decim: Decimation factor for digital filter calculation.
  • dspfvs: DSP firmware version for digital filter calculation.
  • originFrequency: Origin frequency of the spectrum (MHz).
  • frequencyOffset: Frequency offset for referencing (optional).
  • nucleus: Observed nucleus (e.g., '1H', '13C').
  • baseFrequency: Base frequency for referencing (optional).
  • spectralWidth: Spectral width of the experiment (Hz).
  • solvent: Solvent used in the experiment (optional).
  • owner: Owner of the data (optional).
  • dataType: Type of data (optional).
  • scaleFactor: Scaling factor applied to the data (optional).

OptionalxyEncoding

xyEncoding?: XYEncoding

defines if the format should be PEAKTABLE (default) or XYDATA in the specified encodeing

Default

''

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