Ejemplo n.º 1
0
        public void ImporterTest2_newerFormat()
        {
            var importedResultFile =
                @"\\protoapps\UserData\Slysz\Data\N14N15\2012_07_09_VelosOrbi Ponly datasets\Results\RSPH_Ponly_15_A_8May12_Earth_12-03-11_results.txt";

            var importer = new N14N15TargetedResultFromTextImporter(importedResultFile);
            var repo     = importer.Import();

            Assert.IsNotNull(repo);
            Assert.IsTrue(repo.Results.Count > 0);

            var testResult1 = (N14N15TargetedResultDTO)repo.Results[1];

            Console.WriteLine(repo.Results.Count);

            Assert.AreEqual("RSPH_Ponly_15_A_8May12_Earth_12-03-11", testResult1.DatasetName);
            Assert.AreEqual(27926, testResult1.TargetID);
            Assert.AreEqual(2, testResult1.ChargeState);
            Assert.AreEqual(3741, testResult1.ScanLC);
            Assert.AreEqual(3737, testResult1.ScanLCStart);
            Assert.AreEqual(3756, testResult1.ScanLCEnd);
            Assert.AreEqual(3730, testResult1.ScanN15);
            Assert.AreEqual(3717, testResult1.ScanN15Start);
            Assert.AreEqual(3736, testResult1.ScanN15End);
            Assert.AreEqual(0.14264, (decimal)testResult1.NET);
            Assert.AreEqual(0.1420909, (decimal)testResult1.NETN15);
            Assert.AreEqual(3, testResult1.NumChromPeaksWithinTol);
            Assert.AreEqual(2, testResult1.NumChromPeaksWithinTolN15);
            Assert.AreEqual(808.43666m, (decimal)testResult1.MonoMass);
            Assert.AreEqual(816.418341548027m, (decimal)testResult1.MonoMassN15);

            Assert.AreEqual(15341980, (decimal)testResult1.Intensity);
            Assert.AreEqual(339199, (decimal)testResult1.IntensityN15);
            Assert.AreEqual(0.0025, (decimal)testResult1.FitScore);
            Assert.AreEqual(0.6038309, (decimal)testResult1.FitScoreN15);
            Assert.AreEqual(1.008051, (decimal)testResult1.RatioContributionN14);
            Assert.AreEqual(1.089195, (decimal)testResult1.RatioContributionN15);
            Assert.AreEqual(0.02444267m, (decimal)testResult1.Ratio);


            //Dataset	TargetID	EmpiricalFormula	ChargeState	Scan	ScanStart	ScanEnd	NumMSSummed	NET	NETError	NumChromPeaksWithinTol	NumQualityChromPeaksWithinTol	MonoisotopicMass	MonoisotopicMassCalibrated	MassErrorInPPM	MonoMZ	IntensityRep	FitScore	IScore	FailureType	ErrorDescription	ScanN15	ScanN15Start	ScanN15End	NETN15	ChromPeaksWithinTolN15	NumQualityChromPeaksWithinTolN15	MonoisotopicMassN15	MonoisotopicMassCalibratedN15	MonoMZN15	IntensityN15	FitScoreN15	IScoreN15	RatioContribN14	RatioContribN15	Ratio
            //RSPH_Ponly_15_A_8May12_Earth_12-03-11	27926	C37H60N8O12	2	3741	3737	3756	5	0.14264	-0.004085	3	1	808.43666	808.43665	-4.47	405.2256	1.53E+07	0.0025	0			3730	3717	3736	0.1420909	2	2	816.4183415	816.4129617	409.2164473	339199	0.6038309	0.9496943	1.008051	1.089195	0.02444267
        }
Ejemplo n.º 2
0
        public void ImporterTest1()
        {
            var importedResultFile = Path.Combine(FileRefs.ImportedData, "N14N15TargetedResultsImportedData1.txt");

            var importer = new N14N15TargetedResultFromTextImporter(importedResultFile);
            var repo     = importer.Import();

            Assert.IsNotNull(repo);
            Assert.IsTrue(repo.Results.Count > 0);

            var testResult1 = (N14N15TargetedResultDTO)repo.Results[26];

            Console.WriteLine(repo.Results.Count);

            Assert.AreEqual("RSPH_PtoA_NL_14_rep3_8Jan08_Raptor_07-11-01", testResult1.DatasetName);
            Assert.AreEqual(27926, testResult1.TargetID);
            Assert.AreEqual(1, testResult1.ChargeState);
            Assert.AreEqual(287, testResult1.ScanLC);
            Assert.AreEqual(283, testResult1.ScanLCStart);
            Assert.AreEqual(292, testResult1.ScanLCEnd);
            Assert.AreEqual(286, testResult1.ScanN15);
            Assert.AreEqual(282, testResult1.ScanN15Start);
            Assert.AreEqual(291, testResult1.ScanN15End);
            Assert.AreEqual(0.1390, (decimal)testResult1.NET);
            Assert.AreEqual(0.1388, (decimal)testResult1.NETN15);
            Assert.AreEqual(1, testResult1.NumChromPeaksWithinTol);
            Assert.AreEqual(1, testResult1.NumChromPeaksWithinTolN15);
            Assert.AreEqual(808.43894, (decimal)testResult1.MonoMass);
            Assert.AreEqual(816.41637, (decimal)testResult1.MonoMassN15);

            Assert.AreEqual(2185831, (decimal)testResult1.Intensity);
            Assert.AreEqual(956636, (decimal)testResult1.IntensityN15);
            Assert.AreEqual(0.062, (decimal)testResult1.FitScore);
            Assert.AreEqual(0.102, (decimal)testResult1.FitScoreN15);
            Assert.AreEqual(1.103, (decimal)testResult1.RatioContributionN14);
            Assert.AreEqual(1.210, (decimal)testResult1.RatioContributionN15);
            Assert.AreEqual(0.4255805m, (decimal)testResult1.Ratio);

            //Dataset	GrowthCondition	GrowthTime	BiolRepNum	MTID	Z	Scan	ScanStart	ScanEnd	ScanN15	ScanN15Start	ScanN15End	NET	NETN15	ChromPeaksWithinTol	ChromPeaksWithinTolN15	MonoMassIso1	MonoMassIso2	MZ1	MZ2	AbundanceIso1	AbundanceIso2	Iso1Fit	Iso2Fit	IScore1	IScore2	Iso1RatioContrib	Iso2RatioContrib	Ratio	NumPeaksInCalc
            //RSPH_PtoA_NL_14_rep3_8Jan08_Raptor_07-11-01	PToA_NL	180	2	27926	1	287	283	292	286	282	291	0.1390	0.1388	1	1	808.43894	816.41637	809.44622	817.42364	2185831	956636	0.062	0.102	0.000	0.000	1.103	1.210	0.425580533942721	0
        }