00001 // -------------------------------------------------------------------------- 00002 // OpenMS -- Open-Source Mass Spectrometry 00003 // -------------------------------------------------------------------------- 00004 // Copyright The OpenMS Team -- Eberhard Karls University Tuebingen, 00005 // ETH Zurich, and Freie Universitaet Berlin 2002-2012. 00006 // 00007 // This software is released under a three-clause BSD license: 00008 // * Redistributions of source code must retain the above copyright 00009 // notice, this list of conditions and the following disclaimer. 00010 // * Redistributions in binary form must reproduce the above copyright 00011 // notice, this list of conditions and the following disclaimer in the 00012 // documentation and/or other materials provided with the distribution. 00013 // * Neither the name of any author or any participating institution 00014 // may be used to endorse or promote products derived from this software 00015 // without specific prior written permission. 00016 // For a full list of authors, refer to the file AUTHORS. 00017 // -------------------------------------------------------------------------- 00018 // THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" 00019 // AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE 00020 // IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE 00021 // ARE DISCLAIMED. IN NO EVENT SHALL ANY OF THE AUTHORS OR THE CONTRIBUTING 00022 // INSTITUTIONS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, 00023 // EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, 00024 // PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; 00025 // OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, 00026 // WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR 00027 // OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF 00028 // ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. 00029 // 00030 // -------------------------------------------------------------------------- 00031 // $Maintainer: George Rosenberger $ 00032 // $Authors: George Rosenberger, Hannes Roest $ 00033 // -------------------------------------------------------------------------- 00034 00035 #ifndef OPENMS_ANALYSIS_OPENSWATH_MRMRTNORMALIZER_H 00036 #define OPENMS_ANALYSIS_OPENSWATH_MRMRTNORMALIZER_H 00037 00038 // TODO (georger) check if needed 00039 #include <OpenMS/APPLICATIONS/TOPPBase.h> 00040 #include <OpenMS/CONCEPT/ProgressLogger.h> 00041 #include <OpenMS/MATH/STATISTICS/LinearRegression.h> 00042 00043 #include <numeric> 00044 #include <boost/math/special_functions/erf.hpp> 00045 00046 namespace OpenMS 00047 { 00048 00060 class OPENMS_DLLAPI MRMRTNormalizer 00061 { 00062 00063 public: 00064 00076 static int outlier_candidate(std::vector<double>& x, std::vector<double>& y); 00077 00093 static std::vector<std::pair<double, double> > rm_outliers(std::vector<std::pair<double, double> >& pairs, 00094 double rsq_limit, 00095 double coverage_limit); 00096 00103 static double chauvenet_probability(std::vector<double>& residuals, int pos); 00104 00105 00112 static bool chauvenet(std::vector<double>& residuals, int pos); 00113 }; 00114 00115 } 00116 #endif
| OpenMS / TOPP release 1.10.0 | Documentation generated on Thu Mar 7 2013 09:42:42 using doxygen 1.7.1 |