visualizer-helper/defaultOptions/mass.js at 5b3de282f7721df69d9d87eca6bc39a5f322b759 · cheminfo-js/visualizer-helper · GitHub

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define(() => {
  return {
    monoisotopicMass: 300.123,
    resolution: 100000,
    groups1: '(H+).(H+)2.(H+)3.K+.Na+',
    groups2: '',
    groups3: '',
    groups4: '',
    groups5: '',
    sequence: '',
    sequence2: '',
    mfPattern: 'Br2',
    fragmentation: {
      a: false,
      b: false,
      c: true,
      x: false,
      y: false,
      z: true,
      i: false,
      ya: false,
      yb: false,
      minInternal: 1,
      maxInternal: 999,
    },
    digestion: {
      enzyme: undefined,
      minMissed: undefined,
      maxMissed: undefined,
      minResidue: undefined,
      maxResidue: undefined,
    },
    options: {
      protonate: false,
      protonationPH: 0,
      minimalHeight: 0,
      widthTop: 0.1,
      widthBottom: 0.2,
      widthFunction:
        '// var widthBottom = 0.01 + mass / 8000;\r\n// var widthTop = widthBottom / 2;',
      zone: {
        low: -0.5,
        high: 4.5,
      },
      mfRange: 'C0-100 H0-200 N0-10 O0-10 S0-5 F0-5 Cl0-5 Br0-5',
      maxResults: 200,
      bestOf: 0,
      minSimilarity: 50,
      minUnsaturation: -5,
      maxUnsaturation: 50,
      useUnsaturation: false,
      integerUnsaturation: false,
      massRange: 0.1,
      decimalsPPM: 4,
      decimalsMass: 4,
      addExperimentalExtract: true,
    },
  };
});