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)); }