public string ToOutput(string precursormassFormat = "F5", string massFormat = "F4", string intensityFormat = "F2")
{
StringBuilder sb = new StringBuilder();
sb.AppendFormat("<dta id=\"{0}\" name=\"{1}\">", ID, Name);
sb.AppendLine();
sb.AppendFormat("{0} {1}", PrecursorMass.ToString(precursormassFormat), PrecursorCharge);
sb.AppendLine();
foreach (var peak in MzSpectrum)
{
sb.AppendFormat(" {0} {1}", peak.MZ.ToString(massFormat), peak.Intensity.ToString(intensityFormat));
sb.AppendLine();
}
return sb.ToString();
}