{

// create a peak map containing 4 dummy spectra and peaks

MSExperiment exp;

// The following examples creates a MSExperiment containing four MSSpectrum instances.

for (Size i = 0; i < 4; ++i)

{

MSSpectrum spectrum;

spectrum.setRT(i);

spectrum.setMSLevel(1);

for (float mz = 500.0; mz <= 900; mz += 100.0)

{

Peak1D peak;

peak.setMZ(mz + i);

spectrum.push_back(peak);

}

exp.addSpectrum(spectrum);

}

// Iteration over the RT range (2,3) and the m/z range (603,802) and print the peak positions.

for (auto it = exp.areaBegin(2.0, 3.0, 603.0, 802.0); it != exp.areaEnd(); ++it)

{

cout << it.getRT() << " - " << it->getMZ() << endl;

}

// Iteration over all peaks in the experiment.

// Output: RT, m/z, and intensity

// Note that the retention time is stored in the spectrum (not in the peak object)

for (auto s_it = exp.begin(); s_it != exp.end(); ++s_it)

{

for (auto p_it = s_it->begin(); p_it != s_it->end(); ++p_it)

{

cout << s_it->getRT() << " - " << p_it->getMZ() << " " << p_it->getIntensity() << endl;

}

}

// update the data ranges for all dimensions (RT, m/z, int, IM) and print them:

exp.updateRanges();

std::cout << "Data ranges:\n";

exp.printRange(std::cout);

std::cout << "\nGet maximum intensity on its own: " << exp.getMinMobility() << '\n';

exp.getMinRT();

// Store the spectra to a mzML file with:

FileHandler fh;

auto tmp_filename = File::getTemporaryFile();

fh.storeExperiment(tmp_filename, exp, {FileTypes::MZML});

// And load it with

fh.loadExperiment(tmp_filename, exp);

// If we wanted to load only the MS2 spectra we could speed up reading by setting:

fh.getOptions().setMSLevels({2});

// and then load from disk:

fh.loadExperiment(tmp_filename, exp);

// note: the file in 'tmp_filename' will be automatically deleted

return 0;