40 double digitizerTimebase,
41 double digitizerDelay,
54 double temperature_correction =
55 dC1 * (T1_ref - T1_frame) + dC2 * (T2_ref - T2_frame);
56 temperature_correction = (double)1.0 + (temperature_correction / 1.0e6);
59 C1 = C1 * temperature_correction;
60 C2 = C2 / temperature_correction;
123 std::vector<double> X;
145 QObject::tr(
"ERROR in %1 %2 %3"
146 "inHousePolynomialSolve :\nresult is not valid")
162 qDebug() <<
"mz=" <<
mz;
167 qDebug() <<
"tof ( m_mzCalibrationArr[0])=" << tof;
170 qDebug() <<
"tof=" << tof;
172 qDebug() <<
"tof=" << tof;
174 qDebug() <<
"tof=" << tof;
176 qDebug() <<
"tof=" << tof;
178 qDebug() <<
"index=" << tof;
179 return (quint32)std::round(tof);
185 double digitizerTimebase,
186 double digitizerDelay,
220 if(
m_max > tof_index)
InHousePolynomialSolverResult inHousePolynomialSolve(const std::vector< double > &polynome)
cubic solver adapted from https://www.codeproject.com/articles/798474/to-solve-a-cubic-equation thank...
std::vector< double > m_mzCalibrationArr
MZ calibration parameters.
double m_digitizerTimebase
virtual ~MzCalibrationModel1Cached()
MzCalibrationModel1Cached(double T1_frame, double T2_frame, double digitizerTimebase, double digitizerDelay, double C0, double C1, double C2, double C3, double C4, double T1_ref, double T2_ref, double dC1, double dC2)
double m_arrMasses[600000]
virtual double getMzFromTofIndex(quint32 tof_index) override
get m/z from time of flight raw index
virtual double getMzFromTofIndex(quint32 tof_index) override
get m/z from time of flight raw index
MzCalibrationModel1(double T1_frame, double T2_frame, double digitizerTimebase, double digitizerDelay, double C0, double C1, double C2, double C3, double C4, double T1_ref, double T2_ref, double dC1, double dC2)
virtual quint32 getTofIndexFromMz(double mz) override
get raw TOF index of a given m/z
virtual ~MzCalibrationModel1()
implement Bruker's model type 1 formula to compute m/z
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...