static void WiffToMzML()
{
string wiffPath = @"C:\Work\primaqdev\testdata\C2 Sol SWATH4.wiff";
string runID = "sample=0";
string mzMLOutPath = @"C:\Work\primaqdev\testdata\test.mzML";
using (var wiff = new WiffFileReader(wiffPath))
using (ITransactionScope txn = wiff.BeginTransaction())
using (var mzML = new MzMLWriter(mzMLOutPath))
{
mzML.BeginMzML(wiff.Model);
mzML.BeginRun(wiff.Model.Runs[runID]);
var spectra = wiff.ReadMassSpectra(runID).Take(1);
int spectrumCount = spectra.Count();
int specIdx = 0;
mzML.BeginSpectrumList(spectrumCount);
foreach (var ms in spectra)
{
var bd = wiff.ReadSpectrumPeaks(ms.ID);
mzML.WriteSpectrum(ms, bd, specIdx);
specIdx++;
}
mzML.EndSpectrumList();
mzML.EndRun();
mzML.EndMzML();
mzML.Close();
}
}
static void WiffToSQLite()
{
string wiffPath = @"C:\Work\primaqdev\testdata\C2 Sol SWATH4.wiff";
string mzLitePath = Path.Combine(Path.GetDirectoryName(wiffPath), Path.GetFileNameWithoutExtension(wiffPath) + ".mzlite");
string runID = "sample=0";
if (File.Exists(mzLitePath))
{
File.Delete(mzLitePath);
}
using (IMzLiteDataReader reader = new WiffFileReader(wiffPath))
using (ITransactionScope inTxn = reader.BeginTransaction())
using (MzLiteSQL writer = new MzLiteSQL(mzLitePath))
using (ITransactionScope outTxn = writer.BeginTransaction())
{
foreach (var ms in reader.ReadMassSpectra(runID))
{
var peaks = reader.ReadSpectrumPeaks(ms.ID);
var clonedMS = MzLiteJson.JsonCloneModelItem("#1", ms);
writer.Insert(runID, clonedMS, peaks);
break;
}
foreach (var ms in writer.ReadMassSpectra(runID))
{
var peaks = writer.ReadSpectrumPeaks(ms.ID);
var ms1 = writer.ReadMassSpectrum(ms.ID);
break;
}
outTxn.Commit();
}
}
static void WiffToSQLite()
{
string wiffPath = @"C:\Work\primaqdev\testdata\Für Alex\20160212_MS_DHpsan006.wiff";
string mzLitePath = Path.Combine(Path.GetDirectoryName(wiffPath), Path.GetFileNameWithoutExtension(wiffPath) + ".mzlite");
string runID = "sample=0";
int msLevel;
if (File.Exists(mzLitePath))
{
File.Delete(mzLitePath);
}
using (IMzLiteDataReader reader = new WiffFileReader(wiffPath))
using (ITransactionScope inTxn = reader.BeginTransaction())
using (MzLiteSQL writer = new MzLiteSQL(mzLitePath))
using (ITransactionScope outTxn = writer.BeginTransaction())
{
foreach (var ms in reader.ReadMassSpectra(runID))
{
if (ms.TryGetMsLevel(out msLevel) && msLevel != 1)
{
continue;
}
var peaks = reader.ReadSpectrumPeaks(ms.ID);
//var clonedMS = MzLiteJson.JsonCloneModelItem("#1", ms);
//var max = peaks.Peaks.GroupBy(x => x.Intensity);
writer.Insert(runID, ms, peaks);
//break;
}
//foreach (var ms in writer.ReadMassSpectra(runID))
//{
// var peaks = writer.ReadSpectrumPeaks(ms.ID);
// var ms1 = writer.ReadMassSpectrum(ms.ID);
// break;
//}
outTxn.Commit();
}
}
