public void SetSummaryFilename(string o18SummaryFilename, IAnnotation parentObj)
{
if (this.o18SummaryFilename.Equals(o18SummaryFilename))
{
return;
}
this.parentObj = parentObj;
if (this.summary != null)
{
ClearAllData();
}
this.fileFormat = new O18QuantificationSummaryItemXmlFormat();
this.summary = this.fileFormat.ReadFromFile(o18SummaryFilename);
this.o18SummaryFilename = o18SummaryFilename;
Text = o18SummaryFilename;
this.calc = this.summary.GetCalculator();
this.options = new O18QuantificationSummaryViewerOptions(o18SummaryFilename);
ShowSummary(false);
this.btnSave.Enabled = false;
}
public void CalculateFromProfile(List <Peak> profile, ISampleAbundanceCalculator calc)
{
var top2percentage = profile[0].Intensity + profile[1].Intensity;
this.SpeciesAbundance = new SpeciesAbundanceInfo();
this.SpeciesAbundance.O16 = (this[0].Intensity + this[1].Intensity) / top2percentage;
var intensity3 = Math.Max(0, this[2].Intensity - this.SpeciesAbundance.O16 * profile[2].Intensity);
var intensity4 = Math.Max(0, this[3].Intensity - this.SpeciesAbundance.O16 * profile[3].Intensity);
this.SpeciesAbundance.O181 = (intensity3 + intensity4) / top2percentage;
var intensity5 = Math.Max(0, this[4].Intensity - this.SpeciesAbundance.O16 * profile[4].Intensity - this.SpeciesAbundance.O181 * profile[2].Intensity);
var intensity6 = Math.Max(0, this[5].Intensity - this.SpeciesAbundance.O16 * profile[5].Intensity - this.SpeciesAbundance.O181 * profile[3].Intensity);
this.SpeciesAbundance.O182 = (intensity5 + intensity6) / top2percentage;
this.SampleAbundance = calc.Calculate(this.SpeciesAbundance);
}
