public void Test1() { string executorParametersFile = @"D:\Data\From_Vlad\Bruker\Parameters\ExecutorParameters1 - Copy.xml"; BasicTargetedWorkflowExecutorParameters executorParameters = new BasicTargetedWorkflowExecutorParameters(); executorParameters.LoadParameters(executorParametersFile); string testDatasetPath = @"D:\Data\From_Vlad\Bruker\2013_01_29_ALZ_CTRL_5_0p5_1_01_228.d"; Run run = new RunFactory().CreateRun(testDatasetPath); int numScans = run.GetNumMSScans(); TargetedWorkflowExecutor executor = new BasicTargetedWorkflowExecutor(executorParameters, testDatasetPath); int testTarget = 206675561; //beta amyloid executor.Targets.TargetList = executor.Targets.TargetList.Where(p => p.ID == testTarget && p.ChargeState == 2).ToList(); executor.Execute(); //TestUtilities.DisplayXYValues(executor.TargetedWorkflow.ChromatogramXYData); executor.TargetedWorkflow.Result.DisplayToConsole(); Console.WriteLine("expected mz= " + executor.TargetedWorkflow.Result.Target.MZ); double expectedNET = executor.TargetedWorkflow.Result.Target.NormalizedElutionTime; double expectedScan = expectedNET * numScans; Console.WriteLine("Expected NET= " + expectedNET + "; Corresponds to scan: " + expectedScan); }