From 2734e0b0aefedb0dfb688485e3d7b243b82e938c Mon Sep 17 00:00:00 2001 From: pospelov <pospelov@fz-juelich.de> Date: Mon, 11 Feb 2013 14:15:35 +0100 Subject: [PATCH] another fit config --- App/inc/TestMesoCrystal2.h | 1 + App/src/IsGISAXSTools.cpp | 8 + App/src/TestMesoCrystal2.cpp | 156 ++++++++++++++---- .../ex02_fitspheres/fit_history.txt | 118 +++++++++++++ 4 files changed, 248 insertions(+), 35 deletions(-) diff --git a/App/inc/TestMesoCrystal2.h b/App/inc/TestMesoCrystal2.h index cf684c9a6e2..54c57b6e034 100644 --- a/App/inc/TestMesoCrystal2.h +++ b/App/inc/TestMesoCrystal2.h @@ -76,6 +76,7 @@ public: void fitsuite_config1(); void fitsuite_config2(); void fitsuite_config3(); + void fitsuite_config4(); private: void initializeRealData(); diff --git a/App/src/IsGISAXSTools.cpp b/App/src/IsGISAXSTools.cpp index 071e67db4d2..59108c7ca2a 100644 --- a/App/src/IsGISAXSTools.cpp +++ b/App/src/IsGISAXSTools.cpp @@ -141,6 +141,14 @@ TH2D *IsGISAXSTools::getOutputDataTH2D(const OutputData<double>& output, const s } // creation of 2D with variable bin size +// std::cout << "XXX " << (int)haxises[0].nbins << " " << (int)haxises[1].nbins; +// for(size_t i=0; i<haxises[0].xbins.size(); ++i) { +// std::cout << i << " axis0:" << haxises[0].xbins[i] << std::endl; +// } +// for(size_t i=0; i<haxises[1].xbins.size(); ++i) { +// std::cout << i << " axis1:" << haxises[1].xbins[i] << std::endl; +// } + TH2D *hist2 = new TH2D(histo_name.c_str(), histo_name.c_str(), (int)haxises[0].nbins, &haxises[0].xbins[0], (int)haxises[1].nbins, &haxises[1].xbins[0]); hist2->GetXaxis()->SetTitle( haxises[0].name.c_str() ); hist2->GetYaxis()->SetTitle( haxises[1].name.c_str() ); diff --git a/App/src/TestMesoCrystal2.cpp b/App/src/TestMesoCrystal2.cpp index 381498d858a..fba9c142125 100644 --- a/App/src/TestMesoCrystal2.cpp +++ b/App/src/TestMesoCrystal2.cpp @@ -75,44 +75,55 @@ void TestMesoCrystal2::draw_results() ParameterPool *pool = m_sample_builder->createParameterTree(); std::cout << *pool << std::endl; - pool->setMatchedParametersValue("*/lattice_length_a", 6.19e+00); // 6.2 - pool->setMatchedParametersValue("*/lattice_length_c", 6.19e+00); // 6.2 - pool->setMatchedParametersValue("*/nanoparticle_radius", 5.75e+00); // 5.7 - pool->setMatchedParametersValue("*/sigma_nanoparticle_radius", 6.1e-01); // 0.1 - pool->setMatchedParametersValue("*/sigma_lattice_length_a", 4.1e-01); // 1.5 - pool->setMatchedParametersValue("*/surface_filling_ratio", 0.1); // 0.25 - pool->setMatchedParametersValue("*/roughness", 1.0); // 1.0 - m_experiment->setBeamIntensity(8e+12); +// pool->setMatchedParametersValue("*/lattice_length_a", 6.2e+00); // 6.2 +// pool->setMatchedParametersValue("*/lattice_length_c", 6.2e+00); // 6.2 +// pool->setMatchedParametersValue("*/nanoparticle_radius", 5.7e+00); // 5.7 +// pool->setMatchedParametersValue("*/sigma_nanoparticle_radius", 1.0e-01); // 0.1 +// pool->setMatchedParametersValue("*/meso_height", 200); // 0.1 +// pool->setMatchedParametersValue("*/meso_radius", 1000); // 0.1 +// pool->setMatchedParametersValue("*/sigma_meso_height", 20); // 0.1 +// pool->setMatchedParametersValue("*/sigma_meso_radius", 100); // 0.1 +// pool->setMatchedParametersValue("*/sigma_lattice_length_a", 1.0); // 1.5 +// pool->setMatchedParametersValue("*/surface_filling_ratio", 0.2); // 0.25 +// pool->setMatchedParametersValue("*/roughness", 1.0); // 1.0 +// m_experiment->setBeamIntensity(8e+12); +// m_experiment->runSimulation(); +// m_experiment->normalize(); + +// IsGISAXSTools::drawOutputDataComparisonResults(*m_experiment->getOutputData(), *m_real_data, "initial", "initial params", 100, 1e6, 100); + + pool->setMatchedParametersValue("*/lattice_length_a", 6.2091e+00); // 6.2 + pool->setMatchedParametersValue("*/lattice_length_c", 6.5677e+00); // 6.2 + pool->setMatchedParametersValue("*/nanoparticle_radius", 4.6976e+00); // 5.7 + pool->setMatchedParametersValue("*/sigma_nanoparticle_radius", 3.6720e-01); // 0.1 + pool->setMatchedParametersValue("*/meso_height", 1.1221e+02); // 0.1 + pool->setMatchedParametersValue("*/meso_radius", 9.4567e+02); // 0.1 + pool->setMatchedParametersValue("*/sigma_meso_height", 1.3310e+00); // 0.1 + pool->setMatchedParametersValue("*/sigma_meso_radius", 1.3863e+00); // 0.1 + pool->setMatchedParametersValue("*/sigma_lattice_length_a", 1.1601e+00); // 1.5 + pool->setMatchedParametersValue("*/surface_filling_ratio", 1.7286e-01); // 0.25 + pool->setMatchedParametersValue("*/roughness", 2.8746e+01); // 1.0 + m_experiment->setBeamIntensity(5.0090e+12); m_experiment->runSimulation(); m_experiment->normalize(); -// TCanvas *c1 = new TCanvas("c1","c1",1024, 768); -// c1->cd(); - IsGISAXSTools::drawOutputDataComparisonResults(*m_experiment->getOutputData(), *m_real_data, "initial", "initial params", 100, 1e6, 100); - -// pool->setMatchedParametersValue("*/lattice_length_a", 6.175e+00); // 6.2 -// pool->setMatchedParametersValue("*/lattice_length_c", 6.428e+00); // 6.2 -// pool->setMatchedParametersValue("*/nanoparticle_radius", 6.241e+00); // 5.7 -// pool->setMatchedParametersValue("*/sigma_nanoparticle_radius", 7.245e-01); // 0.1 -// pool->setMatchedParametersValue("*/sigma_lattice_length_a", 1.613); // 1.5 -// pool->setMatchedParametersValue("*/surface_filling_ratio", 0.06); // 0.25 -// pool->setMatchedParametersValue("*/roughness", 50.0); // 1.0 -// m_experiment->setBeamIntensity(0.206*8e+12); - pool->setMatchedParametersValue("*/lattice_length_a", 6.175e+00); // 6.2 - pool->setMatchedParametersValue("*/lattice_length_c", 5.987e+00); // 6.2 - pool->setMatchedParametersValue("*/nanoparticle_radius", 6.341e+00); // 5.7 - pool->setMatchedParametersValue("*/sigma_nanoparticle_radius", 0.734); // 0.1 - pool->setMatchedParametersValue("*/sigma_lattice_length_a", 1.303); // 1.5 - pool->setMatchedParametersValue("*/surface_filling_ratio", 0.14); // 0.25 - pool->setMatchedParametersValue("*/roughness", 0.0199); // 1.0 - m_experiment->setBeamIntensity(6.98e-2*8e+12); - m_experiment->runSimulation(); - m_experiment->normalize(); - -// TCanvas *c2 = new TCanvas("c2","c2",1024, 768); -// c2->cd(); IsGISAXSTools::drawOutputDataComparisonResults(*m_experiment->getOutputData(), *m_real_data, "found", "founf params", 100, 1e6, 100); + TCanvas *c1 = new TCanvas("meso_real_data","meso_real_data",1024, 768); + c1->cd(); gPad->SetLogz(); gPad->SetRightMargin(0.12); gPad->SetLeftMargin(0.125); + TH2D *hist_real = IsGISAXSTools::getOutputDataTH2D(*m_real_data, "real_data"); + hist_real->SetMinimum(100); + hist_real->SetMaximum(1e6); + hist_real->GetYaxis()->SetTitleOffset(1.35); + hist_real->DrawCopy("CONT4 Z"); + + TCanvas *c2 = new TCanvas("meso_simul_data","meso_simul_data",1024, 768); + c2->cd(); gPad->SetLogz(); gPad->SetRightMargin(0.12); gPad->SetLeftMargin(0.125); + TH2D *hist_simu = IsGISAXSTools::getOutputDataTH2D(*m_experiment->getOutputData(), "simul_data"); + hist_simu->SetMinimum(100); + hist_simu->SetMaximum(1e6); + hist_simu->GetYaxis()->SetTitleOffset(1.35); + hist_simu->DrawCopy("CONT4 Z"); } @@ -190,6 +201,9 @@ void TestMesoCrystal2::fitsuite_setup(int nconfig) case 3: fitsuite_config3(); break; + case 4: + fitsuite_config4(); + break; default: throw LogicErrorException("TestMesoCrystal2::fitsuite_setup() -> Error! Can't setup FitSuite"); break; @@ -197,6 +211,77 @@ void TestMesoCrystal2::fitsuite_setup(int nconfig) } + +// ---------------------------------------------------------------------------- +// FitSuite configuration #3 +// * Mask on fit data +// * Several fit iterations with different set of fixed released parameters +// * ChiSquaredModule with normalizer +// ---------------------------------------------------------------------------- +void TestMesoCrystal2::fitsuite_config4() +{ + m_fitSuite->setMinimizer( MinimizerFactory::createMinimizer("Minuit2", "Combined") ); +// m_fitSuite->setMinimizer( MinimizerFactory::createMinimizer("Minuit2", "Fumili") ); + + m_fitSuite->getAttributes().setStepFactor(0.01); + m_fitSuite->addFitParameter("*/lattice_length_a", 6.2091e+00*Units::nanometer, AttLimits::limited(4.0*Units::nanometer, 8.0*Units::nanometer) ); + m_fitSuite->addFitParameter("*/lattice_length_c", 6.5677e+00*Units::nanometer, AttLimits::limited(4.0*Units::nanometer, 8.0*Units::nanometer) ); + m_fitSuite->addFitParameter("*/nanoparticle_radius", 4.6976e+00*Units::nanometer, AttLimits::limited(4.0*Units::nanometer, 8.0*Units::nanometer) ); + m_fitSuite->addFitParameter("*/sigma_nanoparticle_radius", 3.6720e-01*Units::nanometer, AttLimits::limited(0.01*Units::nanometer, 2.0*Units::nanometer) ); + m_fitSuite->addFitParameter("*/meso_height", 1.1221e+02*Units::nanometer, AttLimits::limited(10.0*Units::nanometer, 2000.0*Units::nanometer) ); + m_fitSuite->addFitParameter("*/meso_radius", 9.4567e+02*Units::nanometer, AttLimits::limited(10.0*Units::nanometer, 5000.0*Units::nanometer) ); + m_fitSuite->addFitParameter("*/sigma_meso_height", 1.3310e+00*Units::nanometer, AttLimits::limited(1.0*Units::nanometer, 200.0*Units::nanometer) ); + m_fitSuite->addFitParameter("*/sigma_meso_radius", 1.3863e+00*Units::nanometer, AttLimits::limited(1.0*Units::nanometer, 500.0*Units::nanometer) ); + m_fitSuite->addFitParameter("*/sigma_lattice_length_a", 1.1601e+00*Units::nanometer, AttLimits::limited(0.01*Units::nanometer, 4.0*Units::nanometer) ); + m_fitSuite->addFitParameter("*/surface_filling_ratio", 1.7286e-01, AttLimits::limited(0.05, 0.5) ); + m_fitSuite->addFitParameter("*/roughness", 2.8746e+01*Units::nanometer, AttLimits::limited(0.01*Units::nanometer, 50.0*Units::nanometer) ); + m_fitSuite->addFitParameter("*Beam/intensity", 5.0090e+12, AttLimits::limited(8e11, 8e13) ); + + fixplan_t fixplan; + fixplan.push_back(boost::assign::list_of("*Beam/intensity")("*/lattice_length_a")("*/lattice_length_c")("*/nanoparticle_radius")); + fixplan.push_back(boost::assign::list_of("*Beam/intensity")("*/meso_height")("*/meso_radius")); + fixplan.push_back(boost::assign::list_of("*Beam/intensity")("*/surface_filling_ratio")("*/roughness")); + fixplan.push_back(boost::assign::list_of("*Beam/intensity")("*/sigma_lattice_length_a")("*/sigma_nanoparticle_radius")("*/sigma_meso_height")("*/sigma_meso_radius")); + + // here we are fixing specific parameters before fit + for( size_t i_plan=0; i_plan<fixplan.size(); ++i_plan) { + std::ostringstream ostr; + ostr << "strategy" <<i_plan; + FitSuiteStrategyAdjustParameters *strategy = new FitSuiteStrategyAdjustParameters(ostr.str()); + strategy->fix_all(); + for(size_t i_par=0; i_par<fixplan[i_plan].size(); ++i_par) { + strategy->release(fixplan[i_plan][i_par]); + } + m_fitSuite->addFitStrategy(strategy); + } + FitSuiteStrategyAdjustParameters *strategy_all = new FitSuiteStrategyAdjustParameters("strategy_all"); + strategy_all->release_all(); + m_fitSuite->addFitStrategy(strategy_all); + + // fitpreserve=1 - preserve original values + // fitpreserve=0 - return always to previous fit values + for(FitSuiteStrategies::iterator it = m_fitSuite->getFitStrategies()->begin(); it!= m_fitSuite->getFitStrategies()->end(); ++it) { + FitSuiteStrategyAdjustParameters *strategy = dynamic_cast<FitSuiteStrategyAdjustParameters *>( (*it) ); + assert(strategy); + strategy->setPreserveOriginalValues( (*mp_options)["fitpreserve"].as<int>() ); + } + +// Mask *mask1 = OutputDataFunctions::CreateRectangularMask(*m_real_data, 0.041, 0.003, 0.051, 0.03); + Mask *mask1 = OutputDataFunctions::CreateRectangularMask(*m_real_data, 0.025, 0.003, 0.051, 0.0375); + m_real_data->setMask(*mask1); + + ChiSquaredModule chiModule; +// chiModule.setChiSquaredFunction( SquaredFunctionDefault() ); + //chiModule.setChiSquaredFunction( SquaredFunctionWhichOnlyWorks() ); // it works only with resolution function, without it fit doesn't converge + chiModule.setChiSquaredFunction( SquaredFunctionWhichOnlyWorks() ); + //chiModule.setOutputDataNormalizer( OutputDataSimpleNormalizer(1.0,0) ); + + m_fitSuite->addExperimentAndRealData(*m_experiment, *m_real_data, chiModule); +// m_fitSuite->addExperimentAndRealData(*m_experiment, *m_real_data); + +} + + // ---------------------------------------------------------------------------- // FitSuite configuration #3 // * Mask on fit data @@ -411,8 +496,9 @@ void TestMesoCrystal2::initializeExperiment(const OutputData<double> *output_dat // if there is output_data as input parameter, build detector using output_data axises const IAxis *axis0 = output_data->getAxis(0); const IAxis *axis1 = output_data->getAxis(1); - //std::cout << axis0->getSize() << " " << axis0->getMin() << " " << axis0->getMax() << " " << axis1->getSize() << " " << axis1->getMin() << " " << axis1->getMax() << std::endl; - m_experiment->setDetectorParameters(axis0->getSize(), axis0->getMin(), axis0->getMax(), axis1->getSize(), axis1->getMin(), axis1->getMax()); + std::cout << "Axis!!! " << axis0->getSize() << " " << axis0->getMin() << " " << axis0->getMax() << " " << axis1->getSize() << " " << axis1->getMin() << " " << axis1->getMax() << std::endl; + //m_experiment->setDetectorParameters(axis0->getSize(), axis0->getMin(), axis0->getMax(), axis1->getSize(), axis1->getMin(), axis1->getMax()); + m_experiment->setDetectorParameters(*m_real_data); } m_experiment->printParameters(); } diff --git a/Examples/MesoCrystals/ex02_fitspheres/fit_history.txt b/Examples/MesoCrystals/ex02_fitspheres/fit_history.txt index 783a96a056f..669f0bb1512 100644 --- a/Examples/MesoCrystals/ex02_fitspheres/fit_history.txt +++ b/Examples/MesoCrystals/ex02_fitspheres/fit_history.txt @@ -203,8 +203,126 @@ concequent values chi2 3.8462e+05 1.4769e+03 1.3043e+03 1.3012e+03 7.1078e+02 5.4487e+02 +----------------------------------- +Attempt #5.1 (config3: b21, b22) +FUMILI +12 parameters, 4 strategies, Mask3 (0.025, 0.003, 0.051, 0.0375) +----------------------------------- +("*Beam/intensity")("*/lattice_length_a")("*/lattice_length_c")("*/nanoparticle_radius") +("*Beam/intensity")("*/meso_height")("*/meso_radius") +("*Beam/intensity")("*/surface_filling_ratio")("*/roughness") +("*Beam/intensity")("*/sigma_lattice_length_a")("*/sigma_nanoparticle_radius")("*/sigma_meso_height")("*/sigma_meso_radius") + +preserved +*/lattice_length_a 6.2000e+00 6.2089e+00 6.2000e+00* 6.2000e+00* 6.2000e+00* 6.1752e+00 +*/lattice_length_c 6.2000e+00 6.6388e+00 6.2000e+00* 6.2000e+00* 6.2000e+00* 6.3514e+00 +*/nanoparticle_radius 5.7000e+00 4.8339e+00 5.7000e+00* 5.7000e+00* 5.7000e+00* 6.2393e+00 +*/sigma_nanoparticle_radi 1.0000e-01* 1.0000e-01* 1.0000e-01* 1.0000e-01* 2.3300e-01 7.1405e-01 +*/meso_height 2.0000e+02* 2.0000e+02* 1.5705e+02 2.0000e+02* 2.0000e+02* 2.5541e+02 +*/meso_radius 1.0000e+03* 1.0000e+03* 1.5099e+03 1.0000e+03* 1.0000e+03* 9.9059e+02 +*/sigma_meso_height 2.0000e+01* 2.0000e+01* 2.0000e+01* 2.0000e+01* 1.1683e+00 3.0216e+00 +*/sigma_meso_radius 1.0000e+02* 1.0000e+02* 1.0000e+02* 1.0000e+02* 2.1788e+00 3.6978e+00 +*/sigma_lattice_length_a 1.0000e+00* 1.0000e+00* 1.0000e+00* 1.0000e+00* 2.5401e+00 1.8449e+00 +*/surface_filling_ratio 2.0000e-01* 2.0000e-01* 2.0000e-01* 5.0105e-02 2.0000e-01* 5.0002e-02 +*/roughness 1.0000e+00* 1.0000e+00* 1.0000e+00* 6.6446e+00 1.0000e+00* 2.3295e+01 +*Beam/intensity 8.0000e+12 2.4613e+12 2.0332e+12 1.8248e+12 3.7218e+12 4.1113e+12 +chi2 3.8459e+05 1.4319e+03 1.8991e+03 3.5814e+03 9.8444e+02 7.3482e+02 + +consequent +*/lattice_length_a 6.2000e+00 6.2089e+00 6.2089e+00* 6.2089e+00* 6.2089e+00* 6.2091e+00 +*/lattice_length_c 6.2000e+00 6.6388e+00 6.6388e+00* 6.6388e+00* 6.6388e+00* 6.5677e+00 +*/nanoparticle_radius 5.7000e+00 4.8339e+00 4.8339e+00* 4.8339e+00* 4.8339e+00* 4.6976e+00 +*/sigma_nanoparticle_radi 1.0000e-01* 1.0000e-01* 1.0000e-01* 1.0000e-01* 2.9979e-01 3.6720e-01 +*/meso_height 2.0000e+02* 2.0000e+02* 1.2009e+02 1.2009e+02* 1.2009e+02* 1.1221e+02 +*/meso_radius 1.0000e+03* 1.0000e+03* 9.9019e+02 9.9019e+02* 9.9019e+02* 9.4567e+02 +*/sigma_meso_height 2.0000e+01* 2.0000e+01* 2.0000e+01* 2.0000e+01* 1.8001e+01 1.3310e+00 +*/sigma_meso_radius 1.0000e+02* 1.0000e+02* 1.0000e+02* 1.0000e+02* 1.0758e+02 1.3863e+00 +*/sigma_lattice_length_a 1.0000e+00* 1.0000e+00* 1.0000e+00* 1.0000e+00* 1.2459e+00 1.1601e+00 +*/surface_filling_ratio 2.0000e-01* 2.0000e-01* 2.0000e-01* 2.0205e-01 2.0205e-01* 1.7286e-01 +*/roughness 1.0000e+00* 1.0000e+00* 1.0000e+00* 7.6231e+00 7.6231e+00* 2.8746e+01 +*Beam/intensity 8.0000e+12 2.4613e+12 4.4069e+12 5.3491e+12 4.7716e+12 5.0090e+12 +chi2 3.8459e+05 1.4319e+03 1.3289e+03 1.3153e+03 8.1429e+02 6.3103e+02 + +----------------------------------- +Attempt #5.2 (config3:b23, b24) +COMBINED +----------------------------------- + +preserved +*/lattice_length_a 6.2000e+00 6.2089e+00 6.2000e+00* 6.2000e+00* 6.2000e+00* 6.2073e+00 +*/lattice_length_c 6.2000e+00 6.6388e+00 6.2000e+00* 6.2000e+00* 6.2000e+00* 6.6150e+00 +*/nanoparticle_radius 5.7000e+00 4.8337e+00 5.7000e+00* 5.7000e+00* 5.7000e+00* 4.7428e+00 +*/sigma_nanoparticle_radi 1.0000e-01* 1.0000e-01* 1.0000e-01* 1.0000e-01* 8.5651e-01 1.0945e-01 +*/meso_height 2.0000e+02* 2.0000e+02* 1.7578e+02 2.0000e+02* 2.0000e+02* 6.2555e+01 +*/meso_radius 1.0000e+03* 1.0000e+03* 1.5108e+03 1.0000e+03* 1.0000e+03* 1.4434e+03 +*/sigma_meso_height 2.0000e+01* 2.0000e+01* 2.0000e+01* 2.0000e+01* 1.0000e+00 6.4704e+00 +*/sigma_meso_radius 1.0000e+02* 1.0000e+02* 1.0000e+02* 1.0000e+02* 1.0000e+00 1.0000e+00 +*/sigma_lattice_length_a 1.0000e+00* 1.0000e+00* 1.0000e+00* 1.0000e+00* 1.6052e+00 1.8359e+00 +*/surface_filling_ratio 2.0000e-01* 2.0000e-01* 2.0000e-01* 5.0000e-02 2.0000e-01* 1.6158e-01 +*/roughness 1.0000e+00* 1.0000e+00* 1.0000e+00* 5.1137e-02 1.0000e+00* 2.0812e+01 +*Beam/intensity 8.0000e+12 2.4609e+12 8.0006e+11 8.0000e+11 8.0000e+11 8.0000e+13 +chi2 3.8459e+05 1.4319e+03 1.7181e+03 2.0880e+03 9.1446e+02 5.2671e+02 + +sequent +*/lattice_length_a 6.2000e+00 6.2089e+00 6.2089e+00* 6.2089e+00* 6.2089e+00* 6.2093e+00 +*/lattice_length_c 6.2000e+00 6.6388e+00 6.6388e+00* 6.6388e+00* 6.6388e+00* 6.4993e+00 +*/nanoparticle_radius 5.7000e+00 4.8337e+00 4.8337e+00* 4.8337e+00* 4.8337e+00* 4.4099e+00 +*/sigma_nanoparticle_radi 1.0000e-01* 1.0000e-01* 1.0000e-01* 1.0000e-01* 1.7430e-01 1.0292e-01 +*/meso_height 2.0000e+02* 2.0000e+02* 2.4230e+01 2.4230e+01* 2.4230e+01* 6.2595e+01 +*/meso_radius 1.0000e+03* 1.0000e+03* 9.8952e+02 9.8952e+02* 9.8952e+02* 9.9957e+02 +*/sigma_meso_height 2.0000e+01* 2.0000e+01* 2.0000e+01* 2.0000e+01* 1.6089e+01 1.0000e+00 +*/sigma_meso_radius 1.0000e+02* 1.0000e+02* 1.0000e+02* 1.0000e+02* 1.0000e+00 1.0000e+00 +*/sigma_lattice_length_a 1.0000e+00* 1.0000e+00* 1.0000e+00* 1.0000e+00* 1.1697e+00 2.1884e+00 +*/surface_filling_ratio 2.0000e-01* 2.0000e-01* 2.0000e-01* 2.4334e-01 2.4334e-01* 2.1498e-01 +*/roughness 1.0000e+00* 1.0000e+00* 1.0000e+00* 1.3149e+01 1.3149e+01* 1.8767e+01 +*Beam/intensity 8.0000e+12 2.4609e+12 8.0000e+13 7.3999e+13 4.3361e+13 8.0000e+13 +chi2 3.8459e+05 1.4319e+03 9.0647e+02 8.5101e+02 5.7226e+02 4.7077e+02 + +----------------------------------- +Attempt #5.3 (config3:b25, b26) +COMBINED, squared function +----------------------------------- + +preserved +*/lattice_length_a 6.2000e+00 6.2091e+00 6.2000e+00* 6.2000e+00* 6.2000e+00* 6.2025e+00 +*/lattice_length_c 6.2000e+00 6.2809e+00 6.2000e+00* 6.2000e+00* 6.2000e+00* 6.1213e+00 +*/nanoparticle_radius 5.7000e+00 4.9309e+00 5.7000e+00* 5.7000e+00* 5.7000e+00* 4.0000e+00 +*/sigma_nanoparticle_radi 1.0000e-01* 1.0000e-01* 1.0000e-01* 1.0000e-01* 4.9553e-01 5.6560e-01 +*/meso_height 2.0000e+02* 2.0000e+02* 7.7129e+01 2.0000e+02* 2.0000e+02* 2.2191e+02 +*/meso_radius 1.0000e+03* 1.0000e+03* 1.6206e+03 1.0000e+03* 1.0000e+03* 1.2396e+03 +*/sigma_meso_height 2.0000e+01* 2.0000e+01* 2.0000e+01* 2.0000e+01* 1.0057e+00 1.0000e+00 +*/sigma_meso_radius 1.0000e+02* 1.0000e+02* 1.0000e+02* 1.0000e+02* 1.0125e+00 1.0006e+00 +*/sigma_lattice_length_a 1.0000e+00* 1.0000e+00* 1.0000e+00* 1.0000e+00* 2.3231e+00 1.6673e+00 +*/surface_filling_ratio 2.0000e-01* 2.0000e-01* 2.0000e-01* 5.0000e-02 2.0000e-01* 1.3012e-01 +*/roughness 1.0000e+00* 1.0000e+00* 1.0000e+00* 4.2248e+01 1.0000e+00* 4.9999e+01 +*Beam/intensity 8.0000e+12 4.5230e+12 1.0975e+12 8.0000e+11 1.0824e+12 3.6576e+12 +chi2 4.6839e+04 6.2086e+01 7.5972e+01 1.0378e+02 1.8077e+01 7.8776e+00 + +sequent +*/lattice_length_a 6.2000e+00 6.2091e+00 6.2091e+00* 6.2091e+00* 6.2091e+00* 6.1748e+00 +*/lattice_length_c 6.2000e+00 6.2809e+00 6.2809e+00* 6.2809e+00* 6.2809e+00* 6.5115e+00 +*/nanoparticle_radius 5.7000e+00 4.9309e+00 4.9309e+00* 4.9309e+00* 4.9309e+00* 4.0000e+00 +*/sigma_nanoparticle_radi 1.0000e-01* 1.0000e-01* 1.0000e-01* 1.0000e-01* 1.8090e-01 5.4699e-01 +*/meso_height 2.0000e+02* 2.0000e+02* 2.7217e+01 2.7217e+01* 2.7217e+01* 6.4971e+01 +*/meso_radius 1.0000e+03* 1.0000e+03* 1.0294e+03 1.0294e+03* 1.0294e+03* 1.0369e+03 +*/sigma_meso_height 2.0000e+01* 2.0000e+01* 2.0000e+01* 2.0000e+01* 8.7503e+00 4.1962e+00 +*/sigma_meso_radius 1.0000e+02* 1.0000e+02* 1.0000e+02* 1.0000e+02* 1.0000e+00 1.0000e+00 +*/sigma_lattice_length_a 1.0000e+00* 1.0000e+00* 1.0000e+00* 1.0000e+00* 1.2780e+00 1.4899e+00 +*/surface_filling_ratio 2.0000e-01* 2.0000e-01* 2.0000e-01* 2.1678e-01 2.1678e-01* 2.7661e-01 +*/roughness 1.0000e+00* 1.0000e+00* 1.0000e+00* 5.3232e-02 5.3232e-02* 4.9998e+01 +*Beam/intensity 8.0000e+12 4.5230e+12 8.0000e+13 8.0000e+13 3.1186e+13 4.4074e+12 +chi2 4.6839e+04 6.2086e+01 3.1806e+01 3.1210e+01 2.3172e+01 8.0399e+00 + + fumili b21 preserve=1 (../../../development/git/GISASFW/App/App --mesocrystal2 --batch --fitconfig=3 --fitpreserve=1 >& b21.txt &) b22 preserve=0 (../../../development/git/GISASFW/App/App --mesocrystal2 --batch --fitconfig=3 --fitpreserve=0 >& b22.txt &) +Combined +b23 preserve=1 (../../../development/git/GISASFW/App/App --mesocrystal2 --batch --fitconfig=3 --fitpreserve=1 >& b23.txt &) +b24 preserve=0 (../../../development/git/GISASFW/App/App --mesocrystal2 --batch --fitconfig=3 --fitpreserve=0 >& b24.txt &) + +Combined + SquaredFunctionSystematicError +b25 preserve=0 +b26 preserve=1 -- GitLab