/// <summary> /// Get the theoretical Isotope profile for <paramref name="monoIsotopeMass"/> at charge <paramref name="charge"/> /// </summary> /// <param name="monoIsotopeMass"></param> /// <param name="charge"></param> /// <param name="relativeIntensityThreshold"></param> /// <returns></returns> public static List <Peak> GetTheoreticalIsotopeProfile(double monoIsotopeMass, int charge, double relativeIntensityThreshold = 0.1) { return(DefaultAveragine.GetTheoreticalIsotopeProfileInst(monoIsotopeMass, charge, relativeIntensityThreshold)); }
/// <summary> /// Get the Isotopomer envelope for the nominal mass <paramref name="nominalMass"/> /// </summary> /// <param name="nominalMass"></param> /// <returns></returns> public static IsotopomerEnvelope GetIsotopomerEnvelopeFromNominalMass(int nominalMass) { return(DefaultAveragine.GetIsotopomerEnvelopeFromNominalMassInst(nominalMass)); }
/// <summary> /// Get the Isotopomer envelope for <paramref name="monoIsotopeMass"/> /// </summary> /// <param name="monoIsotopeMass"></param> /// <returns></returns> public static IsotopomerEnvelope GetIsotopomerEnvelope(double monoIsotopeMass) { return(DefaultAveragine.GetIsotopomerEnvelopeInst(monoIsotopeMass)); }