Exemplo n.º 1
0
        /// <summary>
        /// Constructor
        /// </summary>
        /// <param name="originalSpec"></param>
        /// <param name="peaks"></param>
        public DeconvolutedSpectrum(Spectrum originalSpec, DeconvolutedPeak[] peaks)
            : base(originalSpec.ScanNum)
        {
            MsLevel         = originalSpec.MsLevel;
            NativeId        = originalSpec.NativeId;
            ElutionTime     = originalSpec.ElutionTime;
            TotalIonCurrent = originalSpec.TotalIonCurrent;

            var ms2Spec = originalSpec as ProductSpectrum;

            if (ms2Spec == null)
            {
                ActivationMethod = ActivationMethod.Unknown;
            }
            else
            {
                ActivationMethod = ms2Spec.ActivationMethod;
                IsolationWindow  = new IsolationWindow(ms2Spec.IsolationWindow.IsolationWindowTargetMz, ms2Spec.IsolationWindow.IsolationWindowLowerOffset, ms2Spec.IsolationWindow.IsolationWindowUpperOffset, ms2Spec.IsolationWindow.MonoisotopicMz, ms2Spec.IsolationWindow.Charge);
            }

            var dPeaks = new DeconvolutedPeak[peaks.Length];

            peaks.CopyTo(dPeaks, 0);
            Peaks = dPeaks;
        }
Exemplo n.º 2
0
        /// <summary>
        /// Constructor
        /// </summary>
        /// <param name="originalSpec"></param>
        /// <param name="peaks"></param>
        public DeconvolutedSpectrum(Spectrum originalSpec, IReadOnlyList <DeconvolutedPeak> peaks)
            : base(originalSpec.ScanNum)
        {
            MsLevel         = originalSpec.MsLevel;
            NativeId        = originalSpec.NativeId;
            ElutionTime     = originalSpec.ElutionTime;
            TotalIonCurrent = originalSpec.TotalIonCurrent;

            if (originalSpec is ProductSpectrum ms2Spec)
            {
                ActivationMethod = ms2Spec.ActivationMethod;
                IsolationWindow  = new IsolationWindow(ms2Spec.IsolationWindow.IsolationWindowTargetMz,
                                                       ms2Spec.IsolationWindow.IsolationWindowLowerOffset,
                                                       ms2Spec.IsolationWindow.IsolationWindowUpperOffset, ms2Spec.IsolationWindow.MonoisotopicMz,
                                                       ms2Spec.IsolationWindow.Charge);
            }
            else
            {
                ActivationMethod = ActivationMethod.Unknown;
            }

            StorePeaks(peaks);
        }