SpecDataPointEx

Remarks

An extended mass spectrum data point: m/z and intensity plus the per-peak attributes a Thermo centroid stream provides. This is the point type within SpectrumEx. Only the Thermo RAW reader fills the extra fields; the mzML, mzXML and MGF readers set m/z and intensity and leave the rest at zero.

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Constructors

Syntax	Description
SpecDataPointEx(double mz = 0, double intensity = 0, double noise = 0, double baseline = 0, int charge = 0, double resolution = 0)	Creates a data point, with every value defaulting to zero.

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Properties

Identifier	Type	Description
Mz	double	The mass to charge ratio (m/z) value for this data point.
Intensity	double	The intensity value for this data point.
Noise	double	The noise level the instrument reported at this peak.
Baseline	double	The baseline level the instrument reported at this peak.
Charge	int	The charge state the instrument assigned to this peak, or zero if none was assigned.
Resolution	double	The mass resolution the instrument measured at this peak.

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Methods

Method	Returns	Description
CompareTo(SpecDataPointEx x)	int	Orders data points by m/z alone. Two points at the same m/z compare as equal.
Read(BinaryReader reader)	void	Reads an extended mass spectrum data point.
Write(BinaryWriter writer)	void	Writes an extended mass spectrum data point.

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Example

using Nova.Data;
using Nova.Io.Read;

FileReader reader = new FileReader("DDA.raw", MSFilter.MS2);
SpectrumEx spectrum = reader.ReadSpectrumEx("", 1000);

for (int i = 0; i < spectrum.Count; i++)
{
  SpecDataPointEx peak = spectrum.DataPoints[i];
  Console.WriteLine(peak.Mz + "\t" + peak.Intensity + "\tz=" + peak.Charge
    + "\tS/N=" + peak.Intensity / peak.Noise);
}