fromJcamp

src/index.js

Returns a metadata object from JCAMP

fromJcamp(jcampData: string, options: object): NMRMetadata
Parameters
jcampData (string)
options (object = {})
Name Description
options.computeRanges boolean (default false)
options.ranges number? options for ranges computation
Returns
NMRMetadata: metadata

getNucleusFrom2DExperiment

src/getNucleusFrom2DExperiment.js

Returns a list of likely nuclei based on an experiment string This is really an hypothesis and should not be used

getNucleusFrom2DExperiment(experiment: string): Array<string>
Parameters
experiment (string)
Returns
Array<string>:

getSpectrumType

src/getSpectrumType.js

Returns an experiment string based on a pulse sequence

getSpectrumType(meta: any, info: any, pulse: string): string
Parameters
meta (any = {})
info (any = {})
pulse (string)
Returns
string:

NMRMetadata

src/index.js

Object containing parsed metadata

NMRMetadata

Type: object

Properties
dimension (number)
nucleus (Array<number>)
title (string)
solvent (string)
pulse (string)
experiment (string)
temperature (number) : Temperature in Kelvin
frequency (number)
probe (string)
acquisitionMode (string)
expno (number) : Experience number
date (string) : Date in ISO string format
ranges (object)