Пример #1
0
        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 });
        }
Пример #2
0
        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));
        }