AppendCorrelationResultToCsv() public method

The append correlation result to csv.
public AppendCorrelationResultToCsv ( ChargeStateCorrelationResult correlationResult ) : void
correlationResult ImsInformed.Workflows.LcImsPeptideExtraction.ChargeStateCorrelationResult /// The correlation result. ///
return void
ImsTargetResultExporter Class Documentation
Example #1
0
        public void TestSinglePeptide2()
        {
            string uimfFileLocation = Cheetah;

            LcImsPeptideSearchParameters parameters = new LcImsPeptideSearchParameters
            {
                ChargeStateMax = 5,
                NetTolerance = 0.2,
                IsotopicFitScoreThreshold = 0.15,
                MassToleranceInPpm = 30,
                NumPointForSmoothing = 9
            };

            string peptide = "ATVLNYLPK";
            double net = 0.3612;

            PeptideTarget target = new PeptideTarget(1, peptide, net);
            DriftTimeTarget driftTimeTarget = new DriftTimeTarget("Test Target", 19.62, target, 2);
            target.DriftTimeTargetList.Add(driftTimeTarget);

            LcImsPeptideSearchWorkfow lcImsPeptideSearchWorkfow = new LcImsPeptideSearchWorkfow(uimfFileLocation, parameters);
            ChargeStateCorrelationResult correlationResult = lcImsPeptideSearchWorkfow.RunInformedWorkflow(target);

            using (ImsTargetResultExporter resultsExporter = new ImsTargetResultExporter("outputSingle.csv"))
            {
                if (correlationResult != null) resultsExporter.AppendCorrelationResultToCsv(correlationResult);
            }
        }
Example #2
0
        public void TestRunAllTargets()
        {
            string uimfFileLocation = Cheetah;
            string netAlignmentFileLocation = @"";

            IInterpolation interpolation = AlignmentImporter.ReadFile(netAlignmentFileLocation);

            LcImsPeptideSearchParameters parameters = new LcImsPeptideSearchParameters
            {
                ChargeStateMax = 5,
                NetTolerance = 0.03,
                IsotopicFitScoreThreshold = 0.2,
                MassToleranceInPpm = 30,
                NumPointForSmoothing = 9
            };

            List<PeptideTarget> targetList = MassTagImporter.ImportMassTags("elmer", "MT_Human_Sarcopenia_P789");

            Console.WriteLine(DateTime.Now + ": Using " + targetList.Count + " targets.");

            using (ImsTargetResultExporter allResultsExporter = new ImsTargetResultExporter("outputTestAll.csv"))
            {
                using (ImsTargetResultExporter resultsExporter = new ImsTargetResultExporter("outputTest.csv"))
                {
                    LcImsPeptideSearchWorkfow lcImsPeptideSearchWorkfow = new LcImsPeptideSearchWorkfow(uimfFileLocation, parameters, interpolation);

                    foreach (var imsTarget in targetList)
                    {
                        ChargeStateCorrelationResult correlationResult = lcImsPeptideSearchWorkfow.RunInformedWorkflow(imsTarget);

                        allResultsExporter.AppendResultsOfTargetToCsv(imsTarget);

                        if (correlationResult == null) continue;

                        resultsExporter.AppendCorrelationResultToCsv(correlationResult);
                    }
                }
            }
        }