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);
}