Chromatogram

Remarks

A chromatogram: a run of retention time and intensity data points, with the identifier the source gave it.

FileReader.ReadChromatogram returns one, and FileReader.ChromatCount says how many the open file holds.

Implements

IChromatogram

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Constructors

Syntax	Description
Chromatogram(int count = 0)	Creates a chromatogram sized for the given number of data points.

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Properties

Identifier	Type	Description
Count	int	The number of data points.
DataPoints	ChromatDataPoint[]	The data points. Assigning a new array here directly does not update Count; use Resize.
ID	string	The identifier the source gave this chromatogram, such as “TIC”. Not carried by Serialize.

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Methods

Method	Returns	Description
Deserialize(byte[] data)	void	Reads the count as a 32-bit integer, then each data point via ChromatDataPoint.Read.
Dispose()	void	A no-op beyond marking the instance disposed.
Resize(int sz)	void	Replaces the data points with a new, empty array of the given size. Existing points are discarded.
Serialize()	byte[]	Writes the count as a 32-bit integer, then each data point via ChromatDataPoint.Write.

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Example

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

FileReader reader = new FileReader("DDA.mzML");

for (int i = 0; i < reader.ChromatCount; i++)
{
  Chromatogram chromat = reader.ReadChromatogram("", i);
  Console.WriteLine(chromat.ID + ": " + chromat.Count + " points");

  for (int j = 0; j < chromat.Count; j++)
  {
    ChromatDataPoint point = chromat.DataPoints[j];
    Console.WriteLine(point.RT + "\t" + point.Intensity);
  }
}

Assigning DataPoints directly does not update Count, so size a new chromatogram with Resize.

Chromatogram chromat = new Chromatogram();
chromat.Resize(3);
chromat.DataPoints[0] = new ChromatDataPoint { RT = 10.0, Intensity = 1200 };