IsotopeWaveletConstants.h

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// --------------------------------------------------------------------------
//                   OpenMS -- Open-Source Mass Spectrometry
// --------------------------------------------------------------------------
// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
// ETH Zurich, and Freie Universitaet Berlin 2002-2023.
//
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//  * Redistributions in binary form must reproduce the above copyright
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//    may be used to endorse or promote products derived from this software
//    without specific prior written permission.
// For a full list of authors, refer to the file AUTHORS.
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// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
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// --------------------------------------------------------------------------
// $Maintainer: Timo Sachsenberg$
// $Authors: Rene Hussong$
// --------------------------------------------------------------------------
 
#pragma once
 
namespace OpenMS
{
  namespace Constants
  {
#undef OPENMS_DEBUG_ISOTOPE_WAVELET
 
    const unsigned int DEFAULT_NUM_OF_INTERPOLATION_POINTS = 3;
 
    const double MASS_EPSILON = 1e-4f;
 
    const double MARR_WAVELET_CUTOFF = 4.f;
 
    const double PEPTIDE_MASS_RULE_FACTOR = 0.000507f;
    const   double PEPTIDE_MASS_RULE_BOUND =    1. / PEPTIDE_MASS_RULE_FACTOR;
    const double PEPTIDE_MASS_RULE_THEO_PPM_BOUND = 200;
 
    //exact
    const double IW_NEUTRON_MASS = 1.00866491578f;
    const double IW_HALF_NEUTRON_MASS = 0.5043325f;
    const double IW_QUARTER_NEUTRON_MASS = 0.252166228f;
    const double WAVELET_PERIODICITY = 6.229209734f;
 
    //according to Horn et al. (2000)
    /*const double IW_NEUTRON_MASS = 1.00235f;
    const double IW_HALF_NEUTRON_MASS = 0.501175f;
    const double IW_QUARTER_NEUTRON_MASS = 0.2505875f;
    const double WAVELET_PERIODICITY = 6.268454439f;*/
 
 
    const double ONEOLOG2E = 0.6931471806f;
 
    const double IW_PROTON_MASS = 1.00727646688f;
 
    //Linear Fit (standard)
    const double LAMBDA_L_0 = 0.120398590399013419f;
    const double LAMBDA_L_1 = 0.635926795694698589e-3f;
 
    const double CUT_LAMBDA_Q_0_A = 1.9498e+00f;
    const double CUT_LAMBDA_Q_0_B = 2.4244e-03f;
    const double CUT_LAMBDA_Q_0_C = -2.4183e-07f;
    const double CUT_LAMBDA_Q_1_A = 3.6870e+00f;
    const double CUT_LAMBDA_Q_1_B = 1.1561e-03f;
    const double CUT_LAMBDA_Q_1_C = -1.0329e-08f;
    const double CUT_LAMBDA_L_2_A = 5.7661e+00f;
    const double CUT_LAMBDA_L_2_B = 8.6301e-04f;
    const double CUT_LAMBDA_BREAK_0_1 = 2739.4f;
    const double CUT_LAMBDA_BREAK_1_2 = 1.4187e+04f;
 
    const int SHIFT23 = (1 << 23);
    const double SHIFT23_00 = (1.0 / (1 << 23));
    const double LOG_CONST = 0.346607f;
    const double POW_CONST = 0.33971f;
  }
}