public FindNodeDlg()
{
InitializeComponent();
_fullHeight = Height;
AdvancedVisible = false;
_finders = Finders.ListAllFinders().ToArray();
checkedListBoxFinders.Items.AddRange(
_finders.Select(finder => finder.DisplayName).Cast <object>().ToArray());
}
protected override void DoTest()
{
// iRT Retention Time Prediction
string standardDocumentFile = GetTestPath("iRT-C18 Standard.sky"); // Not L10N
RunUI(() => SkylineWindow.OpenFile(standardDocumentFile));
WaitForDocumentLoaded(); // might have some updating to do for protein metadata
RunUI(() => SkylineWindow.SaveDocument(GetTestPath("iRT-C18 Calibrate.sky"))); // Not L10N
// Load raw files for iRT calculator calibration p. 2
const string unschedHuman1Fileroot = "A_D110907_SiRT_HELA_11_nsMRM_150selected_1_30min-5-35"; // Not L10N
string unschedHuman1Name = unschedHuman1Fileroot.Substring(41);
const string unschedHuman2Fileroot = "A_D110907_SiRT_HELA_11_nsMRM_150selected_2_30min-5-35"; // Not L10N
string unschedHuman2Name = unschedHuman2Fileroot.Substring(41);
ImportNewResults(new[] { unschedHuman1Fileroot, unschedHuman2Fileroot }, 41, false, false);
var docCalibrate = WaitForProteinMetadataBackgroundLoaderCompletedUI();
const int pepCount = 11, tranCount = 33;
AssertEx.IsDocumentState(docCalibrate, null, 1, pepCount, pepCount, tranCount);
AssertResult.IsDocumentResultsState(docCalibrate, unschedHuman1Name, pepCount, pepCount, 0, tranCount, 0);
AssertResult.IsDocumentResultsState(docCalibrate, unschedHuman2Name, pepCount, pepCount, 0, tranCount, 0);
RunUI(() =>
{
SkylineWindow.ArrangeGraphsTiled();
SkylineWindow.ShowRTPeptideGraph();
using (var enumLabels = SkylineWindow.RTGraphController.GraphSummary.Categories.GetEnumerator())
{
foreach (var nodePep in docCalibrate.Peptides)
{
Assert.IsTrue(enumLabels.MoveNext() && enumLabels.Current != null);
Assert.IsTrue(nodePep.Peptide.Sequence.StartsWith(enumLabels.Current.Substring(0, 3)));
}
}
});
// Page 3.
PauseForScreenShot <GraphSummary.RTGraphView>("RT graph metafile", 3); // Peptide RT graph
RunUI(() =>
{
SkylineWindow.ShowRTReplicateGraph();
SkylineWindow.AutoZoomBestPeak();
SkylineWindow.SelectedPath = docCalibrate.GetPathTo((int)SrmDocument.Level.Molecules, 0);
});
// Ensure graphs look like p. 3 and 4
WaitForGraphs();
RestoreViewOnScreen(04);
PauseForScreenShot("Main window showing chromatograms and RT graph", 4); // Skyline window with docked RT replicate comparison graph
RunUI(() =>
{
Assert.AreEqual(3, SkylineWindow.RTGraphController.GraphSummary.CurveCount);
Assert.AreEqual(2, SkylineWindow.RTGraphController.GraphSummary.Categories.Count());
var chromGraphs = SkylineWindow.GraphChromatograms.ToArray();
Assert.AreEqual(2, chromGraphs.Length);
Assert.AreEqual(11.3, chromGraphs[0].GraphItems.First().BestPeakTime, 0.05);
Assert.AreEqual(11.2, chromGraphs[1].GraphItems.First().BestPeakTime, 0.05);
});
var listTimes = new List <double>();
for (int i = 0; i < docCalibrate.PeptideCount; i++)
{
int iPeptide = i;
RunUI(() =>
{
SkylineWindow.SelectedPath = docCalibrate.GetPathTo((int)SrmDocument.Level.Molecules, iPeptide);
});
WaitForGraphs();
RunUI(() =>
{
var chromGraphs = SkylineWindow.GraphChromatograms.ToArray();
double time1 = chromGraphs[0].GraphItems.First(g => g.BestPeakTime > 0).BestPeakTime;
double time2 = chromGraphs[1].GraphItems.First(g => g.BestPeakTime > 0).BestPeakTime;
listTimes.Add((time1 + time2) / 2);
Assert.AreEqual(time1, time2, 0.2);
});
}
// Calibrate a calculator p. 4-5
const string irtCalcName = "iRT-C18";
var peptideSettingsUI1 = ShowDialog <PeptideSettingsUI>(SkylineWindow.ShowPeptideSettingsUI);
var editIrtCalc1 = ShowDialog <EditIrtCalcDlg>(peptideSettingsUI1.AddCalculator);
RunUI(() =>
{
editIrtCalc1.CalcName = irtCalcName;
editIrtCalc1.CreateDatabase(GetTestPath("iRT-C18.irtdb")); // Not L10N
});
{
var calibrateDlg = ShowDialog <CalibrateIrtDlg>(editIrtCalc1.Calibrate);
RunUI(() =>
{
calibrateDlg.UseResults();
Assert.AreEqual(11, calibrateDlg.StandardPeptideCount);
calibrateDlg.SetFixedPoints(1, 10);
for (int i = 0; i < calibrateDlg.StandardPeptideCount; i++)
{
Assert.AreEqual(listTimes[i], calibrateDlg.StandardPeptideList[i].RetentionTime, 0.2);
}
});
PauseForScreenShot <CalibrateIrtDlg>("Calibrate iRT Calculator form", 5); // Calibrate iRT Calculator form
RunUI(calibrateDlg.OkDialog);
}
Assert.IsTrue(WaitForConditionUI(() => editIrtCalc1.StandardPeptideCount == 11));
PauseForScreenShot <EditIrtCalcDlg>("Edit iRT Calculater form", 6); // Edit iRT Caclulator form
// Check iRT values and update to defined values p. 6-7
var irtDefinitionPath = GetTestPath("iRT definition.xlsx"); // Not L10N
string irtDefText = GetExcelFileText(irtDefinitionPath, "iRT-C18", 2, true); // Not L10N
RunUI(() =>
{
var standardPeptidesArray = editIrtCalc1.StandardPeptides.ToArray();
Assert.AreEqual(11, standardPeptidesArray.Length);
Assert.AreEqual(0, standardPeptidesArray[1].Irt, 0.00001);
Assert.AreEqual(100, standardPeptidesArray[10].Irt, 0.00001);
CheckIrtStandardPeptides(standardPeptidesArray, irtDefText, 6);
SetClipboardText(irtDefText);
editIrtCalc1.DoPasteStandard();
standardPeptidesArray = editIrtCalc1.StandardPeptides.ToArray();
Assert.AreEqual(11, standardPeptidesArray.Length);
Assert.AreEqual(0, standardPeptidesArray[1].Irt, 0.001);
Assert.AreEqual(100, standardPeptidesArray[10].Irt, 0.005);
CheckIrtStandardPeptides(standardPeptidesArray, irtDefText, 0.00001);
});
OkDialog(editIrtCalc1, editIrtCalc1.OkDialog);
OkDialog(peptideSettingsUI1, peptideSettingsUI1.OkDialog);
// Inspect RT regression graph p. 8
RunUI(SkylineWindow.ShowRTRegressionGraphScoreToRun);
WaitForRegression();
RestoreViewOnScreen(08);
PauseForScreenShot <GraphSummary.RTGraphView>("Retention Times Regression graph metafile", 8); // RT Regression graph
RunUI(() =>
{
VerifyRTRegression(0.15, 15.09, 0.9991);
SkylineWindow.ShowSingleReplicate();
SkylineWindow.SequenceTree.Focus(); // If the focus is left on the results tab, then the next line does nothing
SkylineWindow.SelectedResultsIndex = 0;
});
WaitForRegression();
RunUI(() =>
{
VerifyRTRegression(0.15, 15.15, 0.9991);
SkylineWindow.SelectedResultsIndex = 1;
});
WaitForRegression();
RunUI(() => VerifyRTRegression(0.15, 15.04, 0.9991));
RunUI(() => SkylineWindow.ShowAverageReplicates());
RunUI(() => SkylineWindow.SaveDocument());
// Create a document containing human and standard peptides, p. 9
RunUI(() => SkylineWindow.OpenFile(GetTestPath("iRT Human.sky")));
WaitForProteinMetadataBackgroundLoaderCompletedUI(); // let peptide metadata background loader do its work
RunUI(() =>
{
SkylineWindow.SelectedPath = new IdentityPath(SequenceTree.NODE_INSERT_ID);
SkylineWindow.ImportFiles(standardDocumentFile);
});
WaitForProteinMetadataBackgroundLoaderCompletedUI(); // let peptide metadata background loader do its work
RestoreViewOnScreen(09);
PauseForScreenShot("Targets tree clipped out of main winodw", 9); // Target tree
RunUI(() =>
{
Assert.AreEqual("iRT-C18 Standard Peptides", SkylineWindow.SelectedNode.Text); // Not L10N
Assert.AreEqual(1231, SkylineWindow.DocumentUI.PeptideTransitionCount);
SkylineWindow.SaveDocument(GetTestPath("iRT Human+Standard.sky")); // Not L10N
SkylineWindow.SaveDocument(GetTestPath("iRT Human+Standard Calibrate.sky")); // Not L10N
});
// Remove heavy precursors, p. 10
var docHumanAndStandard = SkylineWindow.Document;
RunDlg <RefineDlg>(SkylineWindow.ShowRefineDlg, refineDlg =>
{
refineDlg.RefineLabelType = IsotopeLabelType.heavy;
refineDlg.OkDialog();
});
var docLightOnly = WaitForDocumentChange(docHumanAndStandard);
Assert.AreEqual(632, docLightOnly.PeptideTransitionCount);
// Create auto-calculate regression RT predictor, p. 10
const string irtPredictorName = "iRT-C18"; // Not L10N
{
var docPre = SkylineWindow.Document;
var peptideSettingsUI2 = ShowDialog <PeptideSettingsUI>(SkylineWindow.ShowPeptideSettingsUI);
RunUI(() => peptideSettingsUI2.ChooseRegression(irtPredictorName));
var regressionDlg = ShowDialog <EditRTDlg>(peptideSettingsUI2.EditRegression);
RunUI(() =>
{
Assert.AreEqual(irtPredictorName, regressionDlg.Regression.Name);
Assert.AreEqual(irtCalcName, regressionDlg.Regression.Calculator.Name);
regressionDlg.SetAutoCalcRegression(true);
regressionDlg.SetTimeWindow(5);
});
PauseForScreenShot("Edit Retention Time Predictor form", 10); // Edit retention time predictor form
OkDialog(regressionDlg, regressionDlg.OkDialog);
OkDialog(peptideSettingsUI1, peptideSettingsUI2.OkDialog);
// Make sure iRT calculator is loaded
WaitForDocumentChangeLoaded(docPre);
}
// Export unscheduled transition list, p. 11
{
const string calibrateBasename = "iRT Human+Standard Calibrate"; // Not L10N
var exportMethodDlg = ShowDialog <ExportMethodDlg>(() => SkylineWindow.ShowExportMethodDialog(ExportFileType.List));
RunUI(() =>
{
exportMethodDlg.ExportStrategy = ExportStrategy.Buckets;
exportMethodDlg.IgnoreProteins = true;
exportMethodDlg.MaxTransitions = 335;
});
PauseForScreenShot <ExportMethodDlg.TransitionListView>("Export Transition List form", 11);
RunUI(() => exportMethodDlg.OkDialog(GetTestPath(calibrateBasename + TextUtil.EXT_CSV)));
WaitForClosedForm(exportMethodDlg);
Assert.AreEqual(332, File.ReadAllLines(GetTestPath(calibrateBasename + "_0001.csv")).Length); // Not L10N
Assert.AreEqual(333 + (TestSmallMolecules ? 2 : 0), File.ReadAllLines(GetTestPath(calibrateBasename + "_0002.csv")).Length); // Not L10N
}
// Import human peptide calibration results p. 12
ImportNewResults(new[] { unschedHuman1Fileroot, unschedHuman2Fileroot }, -1, true);
// Review iRT-C18 graph p. 12-13
RunUI(() => SkylineWindow.ChooseCalculator(irtCalcName));
RunUI(SkylineWindow.ShowRTRegressionGraphScoreToRun);
WaitForRegression();
PauseForScreenShot <GraphSummary.RTGraphView>("RT Regression graph metafile", 13);
RunUI(() =>
{
VerifyRTRegression(0.15, 15.09, 0.9991);
Assert.AreEqual(11, SkylineWindow.DocumentUI.PeptideCount -
SkylineWindow.RTGraphController.Outliers.Length);
});
// Find all unintegrated transitions, p. 13-14
{
var findDlg = ShowDialog <FindNodeDlg>(SkylineWindow.ShowFindNodeDlg);
RunUI(() =>
{
findDlg.FindOptions = new FindOptions().ChangeText(string.Empty)
.ChangeCustomFinders(Finders.ListAllFinders().Where(f => f is UnintegratedTransitionFinder));
});
PauseForScreenShot <FindNodeDlg>("Find form", 14);
RestoreViewOnScreen(15);
RunUI(() =>
{
findDlg.FindAll();
findDlg.Close();
});
WaitForClosedForm(findDlg);
}
PauseForScreenShot <FindResultsForm>("Find Results pane", 14);
var findAllForm = WaitForOpenForm <FindResultsForm>();
Assert.IsNotNull(findAllForm);
const int expectedItems = 6;
RunUI(() =>
{
Assert.AreEqual(expectedItems, findAllForm.ItemCount);
SkylineWindow.ShowAllTransitions();
SkylineWindow.AutoZoomBestPeak();
});
// Review peaks with missing transitions, p. 15
for (int i = 0; i < expectedItems; i++)
{
int iItem = i;
RunUI(() => findAllForm.ActivateItem(iItem));
WaitForGraphs();
RunUI(() => Assert.AreEqual((int)SequenceTree.StateImageId.no_peak,
SkylineWindow.SelectedNode.StateImageIndex));
if (i == 2)
{
PauseForScreenShot <GraphChromatogram>("Chromatogram graph metafile (1 of 2)", 15);
}
if (i == 3)
{
RunUI(() =>
{
var document = SkylineWindow.DocumentUI;
var nodeGroup = document.FindNode(SkylineWindow.SelectedPath.Parent) as TransitionGroupDocNode;
Assert.IsNotNull(nodeGroup);
var nodeTran = document.FindNode(SkylineWindow.SelectedPath) as TransitionDocNode;
Assert.IsNotNull(nodeTran);
var graph = SkylineWindow.GetGraphChrom(Resources.ImportResultsDlg_DefaultNewName_Default_Name);
// New peak picking picks correct peak
Assert.AreEqual(19.8, graph.BestPeakTime.Value, 0.05);
// TransitionGroupDocNode nodeGroupGraph;
// TransitionDocNode nodeTranGraph;
// var scaledRT = graph.FindAnnotatedPeakRetentionTime(19.8, out nodeGroupGraph, out nodeTranGraph);
// Assert.AreSame(nodeGroup, nodeGroupGraph);
// Assert.AreNotSame(nodeTran, nodeTranGraph);
// Assert.AreEqual(7, nodeTranGraph.Transition.Ordinal); // y7
// graph.FirePickedPeak(nodeGroupGraph, nodeTranGraph, scaledRT);
});
}
if (i == 4)
{
PauseForScreenShot <GraphChromatogram>("Chromatogram graph metafile (2 of 2)", 15); // Chromatogram graph
}
}
// New peak picking picks correct peak
// RunUI(() => findAllForm.ActivateItem(3));
// PauseForScreenShot<GraphChromatogram>("Chromatogram graph metafile (3 of 3)", 15);
RunUI(SkylineWindow.ToggleIntegrateAll);
RunUI(findAllForm.Close);
WaitForClosedForm(findAllForm);
RestoreViewOnScreen(17);
// Calculate new iRT values for human peptides, p. 16
{
var editIrtCalc2 = ShowDialog <EditIrtCalcDlg>(SkylineWindow.ShowEditCalculatorDlg);
RunUI(() => Assert.AreEqual(0, editIrtCalc2.LibraryPeptideCount));
var addPeptidesDlg = ShowDialog <AddIrtPeptidesDlg>(editIrtCalc2.AddResults);
PauseForScreenShot <AddIrtPeptidesDlg>("Add Peptides form", 15);
RunUI(() =>
{
Assert.AreEqual(148, addPeptidesDlg.PeptidesCount);
Assert.AreEqual(2, addPeptidesDlg.RunsConvertedCount);
Assert.AreEqual(0, addPeptidesDlg.RunsFailedCount);
});
var recalibrateDlg = ShowDialog <MultiButtonMsgDlg>(addPeptidesDlg.OkDialog);
OkDialog(recalibrateDlg, recalibrateDlg.Btn1Click);
PauseForScreenShot <EditIrtCalcDlg>("Edit iRT Calculator form", 16);
RunUI(() => Assert.AreEqual(148, editIrtCalc2.LibraryPeptideCount));
RunUI(editIrtCalc2.OkDialog);
WaitForClosedForm(editIrtCalc2);
}
// Check the RT regression, p. 17
WaitForRegression();
PauseForScreenShot <GraphSummary.RTGraphView>("RT Regression graph metafile", 17);
RunUI(() =>
{
VerifyRTRegression(0.15, 15.09, 0.99985);
Assert.AreEqual(0, SkylineWindow.RTGraphController.Outliers.Length);
SkylineWindow.SaveDocument();
SkylineWindow.HideFindResults();
});
// Recalibrate method to 90-minute gradient, p. 18
RunUI(() => SkylineWindow.OpenFile(GetTestPath("iRT Human+Standard.sky"))); // Not L10N
RunDlg <FindNodeDlg>(SkylineWindow.ShowFindNodeDlg, findDlg =>
{
findDlg.FindOptions = new FindOptions().ChangeText("NSAQ"); // Not L10N
findDlg.FindNext();
findDlg.Close();
});
RunUI(SkylineWindow.EditDelete);
{
var peptideSettingsUI = ShowDialog <PeptideSettingsUI>(SkylineWindow.ShowPeptideSettingsUI);
RunUI(() =>
{
peptideSettingsUI.SelectedTab = PeptideSettingsUI.TABS.Prediction;
peptideSettingsUI.ChooseRegression(irtPredictorName);
peptideSettingsUI.IsUseMeasuredRT = true;
peptideSettingsUI.TimeWindow = 5;
});
PauseForScreenShot <PeptideSettingsUI.PredictionTab>("Peptide Settings - Prediction tab", 18);
RunUI(peptideSettingsUI.OkDialog);
WaitForClosedForm(peptideSettingsUI);
}
// Import 90-minute standard mix run, p. 19
const string unsched90MinFileroot = "A_D110913_SiRT_HELA_11_nsMRM_150selected_90min-5-40_TRID2215_01"; // Not L10N
ImportNewResults(new[] { unsched90MinFileroot }, -1, false);
WaitForGraphs();
// Verify regression graph, p. 19
RunUI(SkylineWindow.ShowRTRegressionGraphScoreToRun);
WaitForRegression();
PauseForScreenShot <GraphSummary.RTGraphView>("RT Regression graph metafile", 19);
RunUI(() =>
{
VerifyRTRegression(0.40, 24.77, 0.9998);
Assert.AreEqual(147, SkylineWindow.RTGraphController.Outliers.Length);
});
// Check scheduling graph, p. 20
RunUI(SkylineWindow.ShowRTSchedulingGraph);
RunDlg <SchedulingGraphPropertyDlg>(() => SkylineWindow.ShowRTPropertyDlg(SkylineWindow.GraphRetentionTime), propertyDlg =>
{
propertyDlg.TimeWindows = new[] { 2.0, 5.0, 10.0 };
propertyDlg.OkDialog();
});
WaitForGraphs();
PauseForScreenShot <GraphSummary.RTGraphView>("RT Scheduling graph metafile", 20);
// Export new 90-minute scheduled transition list, p. 22
const string scheduledBasename = "iRT Human+Standard"; // Not L10N
{
var exportMethodDlg = ShowDialog <ExportMethodDlg>(() => SkylineWindow.ShowExportMethodDialog(ExportFileType.List));
RunUI(() =>
{
exportMethodDlg.ExportStrategy = ExportStrategy.Buckets;
exportMethodDlg.MaxTransitions = 265;
exportMethodDlg.MethodType = ExportMethodType.Scheduled;
});
PauseForScreenShot <ExportMethodDlg.TransitionListView>("Export Transition List form", 21);
RunUI(() => exportMethodDlg.OkDialog(GetTestPath(scheduledBasename + TextUtil.EXT_CSV)));
WaitForClosedForm(exportMethodDlg);
}
Assert.AreEqual(1223 + (TestSmallMolecules ? 4 : 0), File.ReadAllLines(GetTestPath(scheduledBasename + "_0001.csv")).Length); // Not L10N
Assert.IsFalse(File.Exists(GetTestPath("iRT Human+Standard_0002.csv"))); // Not L10N
// Import scheduled data, p. 23
RunDlg <ManageResultsDlg>(SkylineWindow.ManageResults, manageResultsDlg =>
{
manageResultsDlg.RemoveAllReplicates();
manageResultsDlg.OkDialog();
});
RunUI(() => SkylineWindow.SaveDocument());
const string sched90MinFileroot = "A_D110913_SiRT_HELA_11_sMRM_150selected_90min-5-40_SIMPLE"; // Not L10N
ImportNewResults(new[] { sched90MinFileroot }, -1, false);
RunUI(SkylineWindow.ShowRTRegressionGraphScoreToRun);
WaitForRegression();
PauseForScreenShot <GraphSummary.RTGraphView>("RT Regression graph metafile", 23);
// Review regression and outliers, p. 24
RunUI(() =>
{
VerifyRTRegression(0.358, 25.920, 0.91606);
Assert.AreEqual(0, SkylineWindow.RTGraphController.Outliers.Length);
});
RunDlg <RegressionRTThresholdDlg>(SkylineWindow.ShowRegressionRTThresholdDlg, thresholdDlg =>
{
thresholdDlg.Threshold = 0.998;
thresholdDlg.OkDialog();
});
PauseForScreenShot <GraphSummary.RTGraphView>("RT Regression graph metafile", 24);
// Verify 2 outliers highlighed and removed, p. 25
WaitForConditionUI(() => SkylineWindow.RTGraphController.Outliers.Length == 2);
RunUI(() =>
{
VerifyRTRegression(0.393, 24.85, 0.9989);
SkylineWindow.RemoveRTOutliers();
});
WaitForRegression();
PauseForScreenShot <GraphSummary.RTGraphView>("RT Regression graph metafile", 25);
// Check outlier removal, p. 25
RunUI(() =>
{
VerifyRTRegression(0.393, 24.85, 0.9989);
Assert.AreEqual(0, SkylineWindow.RTGraphController.Outliers.Length);
});
// Review a peak and its predicted retention time, p. 26
RunDlg <FindNodeDlg>(SkylineWindow.ShowFindNodeDlg, findDlg =>
{
findDlg.FindOptions = new FindOptions().ChangeText("DATNVG"); // Not L10N
findDlg.FindNext();
findDlg.Close();
});
WaitForGraphs();
RestoreViewOnScreen(27);
PauseForScreenShot <GraphChromatogram>("Chromatogram graph metafile", 26); // Chromatogram graph
RunUI(() =>
{
var graphChrom = SkylineWindow.GetGraphChrom(sched90MinFileroot);
Assert.IsTrue(graphChrom.BestPeakTime.HasValue);
Assert.AreEqual(47.3, graphChrom.BestPeakTime.Value, 0.05);
Assert.IsTrue(graphChrom.PredictedRT.HasValue);
Assert.AreEqual(47.6, graphChrom.PredictedRT.Value, 0.05);
});
// Import retention times from a spectral library, p. 27
RestoreViewOnScreen(17); // get regression graph back
{
var editIrtCalc = ShowDialog <EditIrtCalcDlg>(SkylineWindow.ShowEditCalculatorDlg);
var addLibrayDlg = ShowDialog <AddIrtSpectralLibrary>(editIrtCalc.AddLibrary);
RunUI(() =>
{
addLibrayDlg.Source = SpectralLibrarySource.file;
addLibrayDlg.FilePath = GetTestPath(Path.Combine("Yeast+Standard", // Not L10N
"Yeast_iRT_C18_0_00001.blib")); // Not L10N
});
PauseForScreenShot <AddIrtSpectralLibrary>("Add Spectral Library form", 27);
// Verify converted peptide iRT values and OK dialogs, p. 28
var addPeptidesDlg = ShowDialog <AddIrtPeptidesDlg>(addLibrayDlg.OkDialog);
RunUI(() =>
{
Assert.AreEqual(558, addPeptidesDlg.PeptidesCount);
Assert.AreEqual(1, addPeptidesDlg.RunsConvertedCount); // Libraries now convert through internal alignment to single RT scale
Assert.AreEqual(3, addPeptidesDlg.KeepPeptidesCount);
});
PauseForScreenShot <AddIrtPeptidesDlg>("Add Peptides form", 28);
var recalibrateDlg = ShowDialog <MultiButtonMsgDlg>(addPeptidesDlg.OkDialog);
OkDialog(recalibrateDlg, recalibrateDlg.Btn1Click);
Assert.IsTrue(WaitForConditionUI(() => editIrtCalc.LibraryPeptideCount == 706));
RunUI(editIrtCalc.OkDialog);
WaitForClosedForm(editIrtCalc);
}
// Inspect MS1 filtered Skyline file created from library DDA data, p. 29
RunUI(() => SkylineWindow.OpenFile(GetTestPath(Path.Combine("Yeast+Standard", // Not L10N
"Yeast+Standard (refined) - 2min.sky"))));
WaitForDocumentLoaded();
RunUI(() => SkylineWindow.SelectedPath = SkylineWindow.DocumentUI.GetPathTo((int)SrmDocument.Level.Molecules, 0));
WaitForRegression();
// Verify numbers that show up in the screenshot
RunUI(() =>
{
// If the cache gets rebuilt, then because the chromatograms
// were minimized, the peak picking is not exactly the same
// using the minimized chromatograms.
VerifyRTRegression(0.3, 19.37, 0.9998);
var graphChrom = SkylineWindow.GetGraphChrom("Velos_2011_1110_RJ_16"); // Not L10N
Assert.AreEqual(37.6, graphChrom.RetentionMsMs[0], 0.05);
Assert.IsTrue(graphChrom.BestPeakTime.HasValue);
Assert.AreEqual(37.6, graphChrom.BestPeakTime.Value, 0.05);
graphChrom = SkylineWindow.GetGraphChrom("Velos_2011_1110_RJ_14"); // Not L10N
Assert.AreEqual(37.3, graphChrom.RetentionMsMs[0], 0.05);
Assert.AreEqual(37.6, graphChrom.RetentionMsMs[1], 0.05);
Assert.IsTrue(graphChrom.BestPeakTime.HasValue);
Assert.AreEqual(37.4, graphChrom.BestPeakTime.Value, 0.05);
});
PauseForScreenShot("Main window", 29);
// Add results and verify add dialog counts, p. 29-30
{
var editIrtCalc = ShowDialog <EditIrtCalcDlg>(SkylineWindow.ShowEditCalculatorDlg);
var addPeptidesDlg = ShowDialog <AddIrtPeptidesDlg>(editIrtCalc.AddResults);
RunUI(() =>
{
Assert.AreEqual(0, addPeptidesDlg.PeptidesCount);
Assert.AreEqual(2, addPeptidesDlg.RunsConvertedCount);
Assert.AreEqual(558, addPeptidesDlg.OverwritePeptidesCount);
Assert.AreEqual(3, addPeptidesDlg.ExistingPeptidesCount);
});
PauseForScreenShot <AddIrtPeptidesDlg>("Add Peptides form", 30);
var recalibrateDlg = ShowDialog <MultiButtonMsgDlg>(addPeptidesDlg.OkDialog);
OkDialog(recalibrateDlg, recalibrateDlg.Btn1Click);
RunUI(editIrtCalc.OkDialog);
WaitForClosedForm(editIrtCalc);
}
RunUI(() => SkylineWindow.SaveDocument());
RunUI(SkylineWindow.NewDocument);
}