public void TestCollectStatistics()
{
var testFilesDir = new TestFilesDir(TestContext, ZIP_FILE);
string docPath = testFilesDir.GetTestPath("BSA_Protea_label_free_20100323_meth3_multi.sky");
SrmDocument doc = ResultsUtil.DeserializeDocument(docPath);
var docContainer = new ResultsTestDocumentContainer(doc, docPath);
// Import the first RAW file (or mzML for international)
string rawPath = testFilesDir.GetTestPath("ah_20101011y_BSA_MS-MS_only_5-2" +
ExtensionTestContext.ExtThermoRaw);
var measuredResults = new MeasuredResults(new[] {new ChromatogramSet("Single", new[] {MsDataFileUri.Parse(rawPath)})});
SrmDocument docResults = docContainer.ChangeMeasuredResults(measuredResults, 3, 3, 21);
ChromCacheMinimizer chromCacheMinimizer =
docResults.Settings.MeasuredResults.GetChromCacheMinimizer(docResults);
ChromCacheMinimizer.Settings settings =
new ChromCacheMinimizer.Settings().SetDiscardUnmatchedChromatograms(true);
ChromCacheMinimizer.MinStatistics minStatistics = null;
chromCacheMinimizer.Minimize(settings, s => minStatistics = s, null);
Assert.AreEqual(100, minStatistics.PercentComplete);
Assert.AreEqual(1.0, minStatistics.MinimizedRatio);
var docMissingFirstPeptide =
(SrmDocument)
docResults.ReplaceChild(
docResults.PeptideGroups.First().RemoveChild(docResults.PeptideGroups.First().Children[0]));
var docWithOnlyFirstPeptide =
(SrmDocument)
docResults.ReplaceChild(
docResults.PeptideGroups.First().ChangeChildren(new[] {docResults.PeptideGroups.First().Children[0]}));
ChromCacheMinimizer.MinStatistics statsMissingFirstProtein = null;
ChromCacheMinimizer.MinStatistics statsWithOnlyFirstProtein = null;
settings = settings.SetDiscardUnmatchedChromatograms(true);
ChromCacheMinimizer minimizerMissingFirstProtein =
docMissingFirstPeptide.Settings.MeasuredResults.GetChromCacheMinimizer(docMissingFirstPeptide);
ChromCacheMinimizer minimizerWithOnlyFirstProtein =
docWithOnlyFirstPeptide.Settings.MeasuredResults.GetChromCacheMinimizer(docWithOnlyFirstPeptide);
minimizerMissingFirstProtein.Minimize(settings, s => statsMissingFirstProtein = s, null);
minimizerWithOnlyFirstProtein.Minimize(settings, s => statsWithOnlyFirstProtein = s, null);
Assert.AreEqual(100, statsMissingFirstProtein.PercentComplete);
Assert.AreEqual(100, statsWithOnlyFirstProtein.PercentComplete);
Assert.AreEqual(1.0, statsMissingFirstProtein.MinimizedRatio + statsWithOnlyFirstProtein.MinimizedRatio,
.00001);
settings = settings.SetDiscardUnmatchedChromatograms(false);
ChromCacheMinimizer.MinStatistics statsMissingFirstProteinKeepAll = null;
ChromCacheMinimizer.MinStatistics statsWithOnlyFirstProteinKeepAll = null;
minimizerMissingFirstProtein.Minimize(settings, s => statsMissingFirstProteinKeepAll = s, null);
minimizerWithOnlyFirstProtein.Minimize(settings, s => statsWithOnlyFirstProteinKeepAll = s, null);
Assert.AreEqual(100, statsMissingFirstProteinKeepAll.PercentComplete);
Assert.AreEqual(1.0, statsMissingFirstProteinKeepAll.MinimizedRatio);
Assert.AreEqual(100, statsWithOnlyFirstProteinKeepAll.PercentComplete);
Assert.AreEqual(1.0, statsWithOnlyFirstProteinKeepAll.MinimizedRatio);
docContainer.Release();
}
public MinimizeResultsDlg(IDocumentUIContainer documentUIContainer)
{
InitializeComponent();
Icon = Resources.Skyline;
Settings = new ChromCacheMinimizer.Settings()
.SetDiscardUnmatchedChromatograms(true)
.SetNoiseTimeRange(null);
DocumentUIContainer = documentUIContainer;
bindingSource1.DataSource = _rowItems = new BindingList<GridRowItem>();
}
public void TestNoiseTimeLimit()
{
var testFilesDir = new TestFilesDir(TestContext, ZIP_FILE);
string docPath = testFilesDir.GetTestPath("BSA_Protea_label_free_20100323_meth3_multi.sky");
SrmDocument doc = ResultsUtil.DeserializeDocument(docPath);
var docContainer = new ResultsTestDocumentContainer(doc, docPath);
// Import the first RAW file (or mzML for international)
string rawPath = testFilesDir.GetTestPath("ah_20101011y_BSA_MS-MS_only_5-2" +
ExtensionTestContext.ExtThermoRaw);
var measuredResults = new MeasuredResults(new[] {new ChromatogramSet("Single", new[] {rawPath})});
SrmDocument docResults = docContainer.ChangeMeasuredResults(measuredResults, 3, 3, 21);
var tolerance = (float) docResults.Settings.TransitionSettings.Instrument.MzMatchTolerance;
ChromCacheMinimizer.Settings settings = new ChromCacheMinimizer.Settings()
.SetDiscardUnmatchedChromatograms(false)
.SetNoiseTimeRange(1.0);
string minimized1Path = testFilesDir.GetTestPath("NoiseTimeLimited1.sky");
string minimized2Path = testFilesDir.GetTestPath("NoiseTimeLimited2.sky");
ResultsTestDocumentContainer docContainerMinimized1Min = MinimizeCacheFile(docResults,
settings.SetNoiseTimeRange(1.0),
minimized1Path);
ResultsTestDocumentContainer docContainerMinimized2Min = MinimizeCacheFile(docResults,
settings.SetNoiseTimeRange(2.0),
minimized2Path);
SrmDocument docMinimized1Min = docContainerMinimized1Min.Document;
SrmDocument docMinimized2Min = docContainerMinimized2Min.Document;
ChromatogramSet chromSet1Min = docMinimized1Min.Settings.MeasuredResults.Chromatograms[0];
ChromatogramSet chromSet2Min = docMinimized2Min.Settings.MeasuredResults.Chromatograms[0];
ChromatogramSet chromSetOriginal = docResults.Settings.MeasuredResults.Chromatograms[0];
foreach (var pair in docResults.PeptidePrecursorPairs)
{
ChromatogramGroupInfo[] chromGroupsOriginal;
ChromatogramGroupInfo[] chromGroups1;
ChromatogramGroupInfo[] chromGroups2;
docMinimized1Min.Settings.MeasuredResults.TryLoadChromatogram(chromSet1Min,
pair.NodePep, pair.NodeGroup, tolerance, true, out chromGroups1);
docMinimized2Min.Settings.MeasuredResults.TryLoadChromatogram(chromSet2Min,
pair.NodePep, pair.NodeGroup, tolerance, true, out chromGroups2);
docResults.Settings.MeasuredResults.TryLoadChromatogram(chromSetOriginal,
pair.NodePep, pair.NodeGroup, tolerance, true, out chromGroupsOriginal);
Assert.AreEqual(chromGroups1.Length, chromGroups2.Length);
Assert.AreEqual(chromGroups1.Length, chromGroupsOriginal.Length);
for (int iChromGroup = 0; iChromGroup < chromGroups1.Length; iChromGroup++)
{
ChromatogramGroupInfo chromGroup1 = chromGroups1[iChromGroup];
ChromatogramGroupInfo chromGroup2 = chromGroups2[iChromGroup];
ChromatogramGroupInfo chromGroupOriginal = chromGroupsOriginal[iChromGroup];
var times = new[]
{
chromGroupOriginal.Times[0],
chromGroup2.Times[0],
chromGroup1.Times[0],
chromGroup1.Times[chromGroup1.Times.Length - 1],
chromGroup2.Times[chromGroup2.Times.Length - 1],
chromGroupOriginal.Times[chromGroupOriginal.Times.Length - 1]
};
// The two minute window around the peak might overlap with either the start or end of the original chromatogram,
// but will never overlap with both.
Assert.IsTrue(chromGroup2.Times[0] > chromGroupOriginal.Times[0]
||
chromGroup2.Times[chromGroup2.Times.Length - 1] <
chromGroupOriginal.Times[chromGroupOriginal.Times.Length - 1]);
// If the two minute window does not overlap with the start/end of the original chromatogram, then the difference
// in time between the one minute window and the two minute window will be approximately 1 minute.
if (chromGroup2.Times[0] > chromGroupOriginal.Times[0])
{
Assert.AreEqual(chromGroup2.Times[0], chromGroup1.Times[0] - 1, .1);
}
if (chromGroup2.Times[chromGroup2.Times.Length - 1] <
chromGroupOriginal.Times[chromGroupOriginal.Times.Length - 1])
{
Assert.AreEqual(chromGroup2.Times[chromGroup2.Times.Length - 1],
chromGroup1.Times[chromGroup1.Times.Length - 1] + 1, .1);
}
float[] timesSorted = times.ToArray();
Array.Sort(timesSorted);
CollectionAssert.AreEqual(times, timesSorted);
}
}
docContainer.Release();
docContainerMinimized1Min.Release();
docContainerMinimized2Min.Release();
}