public void TestMaxEntDeconvoluter()
{
const string rawFileFolder = @"\\proto-11\MSXML_Cache\PBF_Gen_1_214\2015_4";
const string fname = "WHIM2_LoHi_T2DD_HCD_GF07_02";
var rawFile = string.Format(@"{0}\{1}.pbf", rawFileFolder, fname);
var ms1ft = string.Format(@"\\protoapps\UserData\Jungkap\CompRef\lowRes\{0}.ms1ft", fname);
var run = PbfLcMsRun.GetLcMsRun(rawFile, 1.4826, 0);
var ms1ScanNums = run.GetMs1ScanVector();
var featureFinder = new LcMsPeakMatrixLowResolution(run);
foreach (var scan in ms1ScanNums)
{
var fts = featureFinder.DetectMs1Features(scan);
//Console.WriteLine("{0}\t{1}",scan, fts.Count);
}
var features = featureFinder.GetLcMsFeatures();
var writer = new StreamWriter(ms1ft);
var id = 1;
writer.WriteLine("FeatureID\tMinScan\tMaxScan\tMinCharge\tMaxCharge\tMonoMass\tAbundance\tRepScan\tMaxElutionTime\tElutionLength\tLikelihoodRatio");
foreach (var feature in features.OrderBy(f => f.Mass))
{
writer.WriteLine("{0}\t{1}\t{2}\t{3}\t{4}\t{5}\t{6}\t{7}\t{8}\t{9}\t{10}", id, feature.MinScanNum, feature.MaxScanNum, feature.MinCharge,
feature.MaxCharge, feature.Mass, feature.Abundance, feature.RepresentativeScanNum, feature.MinElutionTime, feature.MaxElutionTime, 0);
id++;
}
writer.Close();
}
public void TestMaxEntDeconvoluter()
{
const string rawFileFolder = @"\\proto-11\MSXML_Cache\PBF_Gen_1_214\2015_4";
const string fname = "WHIM2_LoHi_T2DD_HCD_GF07_02";
string rawFile = string.Format(@"{0}\{1}.pbf", rawFileFolder, fname);
string ms1ft = string.Format(@"\\protoapps\UserData\Jungkap\CompRef\lowRes\{0}.ms1ft", fname);
var run = PbfLcMsRun.GetLcMsRun(rawFile, 1.4826, 0);
var ms1ScanNums = run.GetMs1ScanVector();
var featureFinder = new LcMsPeakMatrixLowResolution(run);
foreach (var scan in ms1ScanNums)
{
var fts = featureFinder.DetectMs1Features(scan);
//Console.WriteLine("{0}\t{1}",scan, fts.Count);
}
var features = featureFinder.GetLcMsFeatures();
var writer = new StreamWriter(ms1ft);
var id = 1;
writer.WriteLine("FeatureID\tMinScan\tMaxScan\tMinCharge\tMaxCharge\tMonoMass\tAbundance\tRepScan\tMaxElutionTime\tElutionLength\tLikelihoodRatio");
foreach (var feature in features.OrderBy(f => f.Mass))
{
writer.WriteLine("{0}\t{1}\t{2}\t{3}\t{4}\t{5}\t{6}\t{7}\t{8}\t{9}\t{10}", id, feature.MinScanNum, feature.MaxScanNum, feature.MinCharge,
feature.MaxCharge, feature.Mass, feature.Abundance, feature.RepresentativeScanNum, feature.MinElutionTime, feature.MaxElutionTime, 0);
id++;
}
writer.Close();
}
