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IsotopeWaveletConstants.h
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2 // OpenMS -- Open-Source Mass Spectrometry
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30 // --------------------------------------------------------------------------
31 // $Maintainer: Timo Sachsenberg$
32 // $Authors: Rene Hussong$
33 // --------------------------------------------------------------------------
34
35 #pragma once
36
37 namespace OpenMS
38 {
39 namespace Constants
40 {
41 #undef OPENMS_DEBUG_ISOTOPE_WAVELET
42
43 const unsigned int DEFAULT_NUM_OF_INTERPOLATION_POINTS = 3;
44
45 const double MASS_EPSILON = 1e-4f;
46
47 const double MARR_WAVELET_CUTOFF = 4.f;
48
49 const double PEPTIDE_MASS_RULE_FACTOR = 0.000507f;
50 const double PEPTIDE_MASS_RULE_BOUND = 1. / PEPTIDE_MASS_RULE_FACTOR;
51 const double PEPTIDE_MASS_RULE_THEO_PPM_BOUND = 200;
52
53 //exact
54 const double IW_NEUTRON_MASS = 1.00866491578f;
55 const double IW_HALF_NEUTRON_MASS = 0.5043325f;
56 const double IW_QUARTER_NEUTRON_MASS = 0.252166228f;
57 const double WAVELET_PERIODICITY = 6.229209734f;
58
59 //according to Horn et al. (2000)
60 /*const double IW_NEUTRON_MASS = 1.00235f;
61 const double IW_HALF_NEUTRON_MASS = 0.501175f;
62 const double IW_QUARTER_NEUTRON_MASS = 0.2505875f;
63 const double WAVELET_PERIODICITY = 6.268454439f;*/
64
65
66 const double ONEOLOG2E = 0.6931471806f;
67
68 const double IW_PROTON_MASS = 1.00727646688f;
69
70 //Linear Fit (standard)
71 const double LAMBDA_L_0 = 0.120398590399013419f;
72 const double LAMBDA_L_1 = 0.635926795694698589e-3f;
73
74 const double CUT_LAMBDA_Q_0_A = 1.9498e+00f;
75 const double CUT_LAMBDA_Q_0_B = 2.4244e-03f;
76 const double CUT_LAMBDA_Q_0_C = -2.4183e-07f;
77 const double CUT_LAMBDA_Q_1_A = 3.6870e+00f;
78 const double CUT_LAMBDA_Q_1_B = 1.1561e-03f;
79 const double CUT_LAMBDA_Q_1_C = -1.0329e-08f;
80 const double CUT_LAMBDA_L_2_A = 5.7661e+00f;
81 const double CUT_LAMBDA_L_2_B = 8.6301e-04f;
82 const double CUT_LAMBDA_BREAK_0_1 = 2739.4f;
83 const double CUT_LAMBDA_BREAK_1_2 = 1.4187e+04f;
84
85 const int SHIFT23 = (1 << 23);
86 const double SHIFT23_00 = (1.0 / (1 << 23));
87 const double LOG_CONST = 0.346607f;
88 const double POW_CONST = 0.33971f;
89 }
90 }
91
OpenMS::Constants::MASS_EPSILON
const double MASS_EPSILON
Definition: IsotopeWaveletConstants.h:45
OpenMS::Constants::SHIFT23_00
const double SHIFT23_00
Definition: IsotopeWaveletConstants.h:86
OpenMS::Constants::CUT_LAMBDA_Q_1_C
const double CUT_LAMBDA_Q_1_C
Definition: IsotopeWaveletConstants.h:79
OpenMS::Constants::DEFAULT_NUM_OF_INTERPOLATION_POINTS
const unsigned int DEFAULT_NUM_OF_INTERPOLATION_POINTS
Definition: IsotopeWaveletConstants.h:43
OpenMS::Constants::WAVELET_PERIODICITY
const double WAVELET_PERIODICITY
Definition: IsotopeWaveletConstants.h:57
OpenMS::Constants::CUT_LAMBDA_BREAK_0_1
const double CUT_LAMBDA_BREAK_0_1
Definition: IsotopeWaveletConstants.h:82
OpenMS::Constants::ONEOLOG2E
const double ONEOLOG2E
Definition: IsotopeWaveletConstants.h:66
OpenMS::Constants::IW_PROTON_MASS
const double IW_PROTON_MASS
Definition: IsotopeWaveletConstants.h:68
OpenMS::Constants::CUT_LAMBDA_Q_0_B
const double CUT_LAMBDA_Q_0_B
Definition: IsotopeWaveletConstants.h:75
OpenMS::Constants::PEPTIDE_MASS_RULE_BOUND
const double PEPTIDE_MASS_RULE_BOUND
Definition: IsotopeWaveletConstants.h:50
OpenMS::Constants::IW_NEUTRON_MASS
const double IW_NEUTRON_MASS
Definition: IsotopeWaveletConstants.h:54
OpenMS::Constants::CUT_LAMBDA_Q_0_A
const double CUT_LAMBDA_Q_0_A
Definition: IsotopeWaveletConstants.h:74
OpenMS::Constants::IW_QUARTER_NEUTRON_MASS
const double IW_QUARTER_NEUTRON_MASS
Definition: IsotopeWaveletConstants.h:56
OpenMS::Constants::MARR_WAVELET_CUTOFF
const double MARR_WAVELET_CUTOFF
Definition: IsotopeWaveletConstants.h:47
OpenMS::Constants::LAMBDA_L_0
const double LAMBDA_L_0
Definition: IsotopeWaveletConstants.h:71
OpenMS::Constants::CUT_LAMBDA_Q_1_B
const double CUT_LAMBDA_Q_1_B
Definition: IsotopeWaveletConstants.h:78
OpenMS::Constants::SHIFT23
const int SHIFT23
Definition: IsotopeWaveletConstants.h:85
OpenMS::Constants::CUT_LAMBDA_Q_0_C
const double CUT_LAMBDA_Q_0_C
Definition: IsotopeWaveletConstants.h:76
OpenMS::Constants::PEPTIDE_MASS_RULE_THEO_PPM_BOUND
const double PEPTIDE_MASS_RULE_THEO_PPM_BOUND
Definition: IsotopeWaveletConstants.h:51
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
OpenMS::Constants::CUT_LAMBDA_L_2_A
const double CUT_LAMBDA_L_2_A
Definition: IsotopeWaveletConstants.h:80
OpenMS::Constants::CUT_LAMBDA_Q_1_A
const double CUT_LAMBDA_Q_1_A
Definition: IsotopeWaveletConstants.h:77
OpenMS::Constants::IW_HALF_NEUTRON_MASS
const double IW_HALF_NEUTRON_MASS
Definition: IsotopeWaveletConstants.h:55
OpenMS::Constants::CUT_LAMBDA_L_2_B
const double CUT_LAMBDA_L_2_B
Definition: IsotopeWaveletConstants.h:81
OpenMS::Constants::POW_CONST
const double POW_CONST
Definition: IsotopeWaveletConstants.h:88
OpenMS::Constants::PEPTIDE_MASS_RULE_FACTOR
const double PEPTIDE_MASS_RULE_FACTOR
Definition: IsotopeWaveletConstants.h:49
OpenMS::Constants::LAMBDA_L_1
const double LAMBDA_L_1
Definition: IsotopeWaveletConstants.h:72
OpenMS::Constants::CUT_LAMBDA_BREAK_1_2
const double CUT_LAMBDA_BREAK_1_2
Definition: IsotopeWaveletConstants.h:83
OpenMS::Constants::LOG_CONST
const double LOG_CONST
Definition: IsotopeWaveletConstants.h:87