56 const int MS2_INDEX_0 = 1;
57 const int MS2_INDEX_1 = 3;
62 SpectrumPtr s21 = centroidedPtr->spectrum(MS2_INDEX_1,
true);
65 s21->binaryDataArrayPtrs.clear();
70 newMzs = vector<double>({ 0.0, 2.0, 2.000001, 3.999999, 4.0, 4.000001, 6.0, 8.0, 10.0, 12.0, 14.0, 16.0, 18.0 });
76 vector<double> s21ExpectedIntensities = { 1.0, 2.0, 3.0 };
77 while (s21ExpectedIntensities.size() < s20->getIntensityArray()->data.size())
79 s21ExpectedIntensities.push_back(1.0);
92 signal.reset(
new MatrixType(numSpectra, mzsToDemux->data.size()));
95 peakExtractor(s20, *signal, 0);
96 peakExtractor(s21, *signal, 1);
101 for (
size_t i = 0; i < baseIntensities->data.size(); ++i)
107 for (
size_t i = 0; i < s21ExpectedIntensities.size(); ++i)
117 signal.reset(
new MatrixType(numSpectra, s21->getMZArray()->data.size()));
118 binExamplePeakExtractor(s21, *signal, 0);
119 binExamplePeakExtractor(s20, *signal, 1);
122 for (
size_t i = 0; i < s21->getIntensityArray()->data.size(); ++i)
124 unit_assert_equal(signal->row(0)[i], s21->getIntensityArray()->data.at(i), 0.0001);
void push_back(const T &value)
boost::shared_ptr< Spectrum > SpectrumPtr
boost::shared_ptr< MatrixType > MatrixPtr
#define unit_assert_equal(x, y, epsilon)
#define unit_assert_operator_equal(expected, actual)
Run run
a run in mzML should correspond to a single, consecutive and coherent set of scans on an instrument...
double mz(double neutralMass, int protonDelta, int electronDelta=0, int neutronDelta=0)
Matrix< DemuxScalar, Dynamic, Dynamic > MatrixType
boost::shared_ptr< const msdata::Spectrum > Spectrum_const_ptr
SpectrumListPtr spectrumListPtr
all mass spectra and the acquisitions underlying them are described and attached here. Subsidiary data arrays are also both described and attached here.
PWIZ_API_DECL void initializeTiny(IdentData &mzid)
MS_number_of_detector_counts
number of detector counts: The number of counted events observed in one or a group of elements of a d...
struct for expressing m/z tolerance in either amu or ppm
This is the root element of ProteoWizard; it represents the mzML element, defined as: intended to cap...
boost::shared_ptr< BinaryDataArray > BinaryDataArrayPtr