Spectrum

Remarks

This class is a convenient wrapper around TSpectrum to simplify the coding process and make code more easily readable. It is intended for use to manage most mass spectral scan events.

Implements

ISpectrum, IDisposable

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Constructors

Syntax	Description
Spectrum (int count=0)	Initializes the spectrum with a default data point array size of count.

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Properties

Identifier	Type	Description
DataPoints	SpecDataPoint[]	The array of m/z and intensity pairs that comprise a spectrum.
Count	int	The number of data points in the DataPoints array

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Methods

Method	Returns	Description
Deserialize (byte[] data)	void	Converts a byte array to the contents of a Spectrum.
Dispose ()	void	Disposes of the Spectrum.
GetMz (double mz, double ppm = 0)	int	Returns the index of the DataPoints array whose m/z value falls within the ppm tolerance of the requested mz value.
Resize (int sz)	int	Resizes, and reinitializes to zero, the DataPoints array of the Spectrum.
Serialize ()	byte[]	Packages the Spectrum into a byte array for storage or transmission.

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Example

// Example C# code
using Nova.Io.Read;
using Nova.Data;

int MS1Count=0;
int MS2Count=0;
FileReader reader = new FileReader("TheBestDataEver.mzML",MSFilter.MS1|MSFilter.MS2);
foreach(Spectrum spec in reader)
{
  if(spec.MsLevel==1)
  {
    MS1Count++;
  }
  else
  {
    MS2Count++;
  }
}
Console.WriteLine("There are " + MS1Count + " MS scans and " + MS2Count + " MS/MS scans.");