protected override string buildIsosResultOutput(Core.IsosResult result)
{
var data = new List <string>
{
result.ScanSet.PrimaryScanNumber.ToString(),
result.IsotopicProfile.ChargeState.ToString(),
DblToString(result.IsotopicProfile.GetAbundance(), 4, true), // Fit score
DblToString(result.IsotopicProfile.GetMZ(), 5),
DblToString(result.IsotopicProfile.Score, 4),
DblToString(result.IsotopicProfile.AverageMass, 5),
DblToString(result.IsotopicProfile.MonoIsotopicMass, 5),
DblToString(result.IsotopicProfile.MostAbundantIsotopeMass, 5),
DblToString(result.IsotopicProfile.GetFWHM(), 4),
DblToString(result.IsotopicProfile.GetSignalToNoise(), 2),
DblToString(result.IsotopicProfile.GetMonoAbundance(), 4, true),
DblToString(result.IsotopicProfile.GetMonoPlusTwoAbundance(), 4, true),
DblToString(result.IsotopicProfile.OriginalIntensity, 4, true),
result.IsotopicProfile.IsSaturatedAsNumericText,
ResultValidators.ResultValidationUtils.GetStringFlagCode(result.Flags)
};
// Uncomment to write out the fit_count_basis
// data.Add(result.IsotopicProfile.ScoreCountBasis); // Number of points used for the fit score
return(string.Join(Delimiter.ToString(), data));
}
protected override string buildIsosResultOutput(Core.IsosResult result)
{
Check.Require(result is O16O18IsosResult, "Cannot use this O16O18ResultExporter with this type of result: " + result);
var o16o18result = (O16O18IsosResult)result;
var sb = new StringBuilder();
sb.Append(o16o18result.ScanSet.PrimaryScanNumber);
sb.Append(Delimiter);
sb.Append(o16o18result.IsotopicProfile.ChargeState);
sb.Append(Delimiter);
sb.Append(DblToString(o16o18result.IsotopicProfile.GetAbundance(), 4, true));
sb.Append(Delimiter);
sb.Append(DblToString(o16o18result.IsotopicProfile.GetMZofMostAbundantPeak(), 5)); //traditionally, the m/z of the most abundant peak is reported. If you want the m/z of the mono peak, get the monoIsotopic mass
sb.Append(Delimiter);
sb.Append(DblToString(o16o18result.IsotopicProfile.Score, 4));
sb.Append(Delimiter);
sb.Append(DblToString(o16o18result.IsotopicProfile.AverageMass, 5));
sb.Append(Delimiter);
sb.Append(DblToString(o16o18result.IsotopicProfile.MonoIsotopicMass, 5));
sb.Append(Delimiter);
sb.Append(DblToString(o16o18result.IsotopicProfile.MostAbundantIsotopeMass, 5));
sb.Append(Delimiter);
sb.Append(DblToString(o16o18result.IsotopicProfile.GetFWHM(), 4));
sb.Append(Delimiter);
sb.Append(DblToString(o16o18result.IsotopicProfile.GetSignalToNoise(), 2));
sb.Append(Delimiter);
sb.Append(DblToString(o16o18result.IsotopicProfile.GetMonoAbundance(), 4, true));
sb.Append(Delimiter);
sb.Append(DblToString(o16o18result.MonoPlus2Abundance, 4, true));
sb.Append(Delimiter);
sb.Append(DblToString(o16o18result.MonoPlus4Abundance, 4, true));
sb.Append(Delimiter);
sb.Append(DblToString(o16o18result.MonoMinus4Abundance, 4, true));
sb.Append(Delimiter);
sb.Append(ResultValidators.ResultValidationUtils.GetStringFlagCode(o16o18result.Flags));
sb.Append(Delimiter);
sb.Append(DblToString(o16o18result.InterferenceScore, 5));
return(sb.ToString());
}
