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Commit 7e3a68cc authored by Renne Thomas's avatar Renne Thomas
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Check if its a timsTOF file before loading spectrum

parent 0868677f
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1 merge request!26Allow to use TDF raw data to load MGF spectrum
......@@ -47,35 +47,50 @@ SpectrumSpLoaderThread::doLoadSpectrumSp(PeptideEvidence *p_peptide_evidence)
settings.value("timstof/spectrum_load_method", "mgf").toString();
try
{
if(spectrum_load_method == "mgf")
QString tdf_file =
QFileInfo(p_peptide_evidence->getIdentificationDataSource()
->getMsRunSp()
->getFileName())
.absoluteDir()
.absolutePath() +
"/analysis.tdf";
if(QFileInfo(tdf_file).exists())
{
spectrum =
p_peptide_evidence->getIdentificationDataSource()
->getMassSpectrumCstSPtr(p_peptide_evidence->getScanNumber());
if(spectrum_load_method == "mgf")
{
spectrum =
p_peptide_evidence->getIdentificationDataSource()
->getMassSpectrumCstSPtr(p_peptide_evidence->getScanNumber());
}
else
{
std::vector<double> values;
values.push_back(p_peptide_evidence->getCharge());
values.push_back(p_peptide_evidence->getExperimentalMz());
values.push_back(p_peptide_evidence->getRetentionTime());
values.push_back(0.99); // TODO
QString tdf_file =
QFileInfo(p_peptide_evidence->getIdentificationDataSource()
->getMsRunSp()
->getFileName())
.absoluteDir()
.absolutePath() +
"/analysis.tdf";
spectrum =
p_peptide_evidence->getIdentificationDataSource()
->getMassSpectrumCstSPtrMgfToTdf(
p_peptide_evidence->getScanNumber(), tdf_file, values);
}
}
else
{
qDebug() << p_peptide_evidence->getCharge()
<< p_peptide_evidence->getExperimentalMz()
<< p_peptide_evidence->getRetentionTime();
std::vector<double> values;
values.push_back(p_peptide_evidence->getCharge());
values.push_back(p_peptide_evidence->getExperimentalMz());
values.push_back(p_peptide_evidence->getRetentionTime());
values.push_back(0.99);
QString tdf_file =
QFileInfo(p_peptide_evidence->getIdentificationDataSource()
->getMsRunSp()
->getFileName())
.absoluteDir()
.absolutePath() +
"/analysis.tdf";
spectrum = p_peptide_evidence->getIdentificationDataSource()
->getMassSpectrumCstSPtrMgfToTdf(
p_peptide_evidence->getScanNumber(), tdf_file, values);
spectrum =
p_peptide_evidence->getIdentificationDataSource()
->getMassSpectrumCstSPtr(p_peptide_evidence->getScanNumber());
}
emit spectrumSpReady(spectrum, QString(""), QString(""));
}
......
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