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clsReporterIonInfo.cs
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clsReporterIonInfo.cs
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namespace MASIC
{
/// <summary>
/// Information for a single reporter ion
/// </summary>
public class clsReporterIonInfo
{
// Ignore Spelling: Daltons, immonium
/// <summary>
/// Reporter ion m/z
/// </summary>
public double MZ { get; }
/// <summary>
/// Tolerance (in Daltons) for looking for this m/z in spectra
/// </summary>
public double MZToleranceDa { get; set; }
/// <summary>
/// Should be False for Reporter Ions and True for other ions, e.g. immonium loss from phenylalanine
/// </summary>
public bool ContaminantIon { get; set; }
/// <summary>
/// Signal/Noise ratio; only populated for FTMS MS2 spectra on Thermo instruments
/// </summary>
public double SignalToNoise { get; set; }
/// <summary>
/// Resolution; only populated for FTMS MS2 spectra on Thermo instruments
/// </summary>
public double Resolution { get; set; }
/// <summary>
/// m/z value for which the resolution and signal/noise value was computed
/// Only populated for FTMS MS2 spectra on Thermo instruments
/// </summary>
public double LabelDataMZ { get; set; }
/// <summary>
/// Constructor
/// </summary>
public clsReporterIonInfo(double ionMZ)
{
MZ = ionMZ;
}
/// <summary>
/// Constructor
/// </summary>
/// <param name="ionMZ"></param>
/// <param name="isContaminantIon"></param>
public clsReporterIonInfo(double ionMZ, bool isContaminantIon)
{
MZ = ionMZ;
ContaminantIon = isContaminantIon;
}
/// <summary>
/// Show the reporter ion m/z and search tolerance
/// </summary>
public override string ToString()
{
return "m/z: " + MZ.ToString("0.0000") + " ±" + MZToleranceDa.ToString("0.0000");
}
}
}