public override IEnumerable <string> Process(string fileName)
{
var summary = new O18QuantificationSummaryItem
{
RawFilename = _rawFilename,
SoftwareVersion = SoftwareVersion,
PeptideSequence = _peptide,
AdditionalFormula = _additionalFormula,
PeptideAtomComposition = _atomComposition.GetFormula(),
PurityOfO18Water = _purityOfO18Water,
PeptideProfile = _profile,
ObservedEnvelopes = _envelopes,
IsPostDigestionLabelling = _isPostDigestionLabelling,
TheoreticalO16Mz = TheoreticalMz,
Charge = Charge,
ScanStartPercentage = _scanPercentageStart,
ScanEndPercentage = _scanPercentageEnd
};
summary.InitializeScanRange();
summary.CalculateSpeciesAbundanceByLinearRegression();
_fileFormat.WriteToFile(fileName, summary);
return(new[] { fileName });
}
private void mnuSetScanEnabled_Click(object sender, EventArgs e)
{
GraphPane graphScans = mnuSetScanEnabled.Tag as GraphPane;
double min = graphScans.XAxis.Scale.Min;
double max = graphScans.XAxis.Scale.Max;
this.bShowSummary = true;
try
{
summary.ObservedEnvelopes.ForEach(m => m.Enabled = m.Scan >= min && m.Scan <= max);
summary.CalculateSpeciesAbundanceByLinearRegression();
foreach (ListViewItem item in lvExperimentalScans.Items)
{
item.Checked = (item.Tag as O18QuanEnvelope).Enabled;
}
}
finally
{
this.bShowSummary = false;
}
ShowSummary(true);
this.btnSave.Enabled = true;
DoUpdateItem();
zgcExperimentalScans.MasterPane.PaneList.ForEach(m => zgcExperimentalScans.ZoomOutAll(m));
}