PASEFHillCentroider.h

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// Copyright (c) 2002-present, OpenMS Inc. -- EKU Tuebingen, ETH Zurich, and FU Berlin
// SPDX-License-Identifier: BSD-3-Clause
//
// --------------------------------------------------------------------------
// $Maintainer: Timo Sachsenberg $
// $Authors: Timo Sachsenberg $
// --------------------------------------------------------------------------
 
#pragma once
 
#include <OpenMS/config.h>
#include <OpenMS/CONCEPT/Types.h>
 
#include <cstddef>
#include <cstdint>
#include <vector>
 
namespace OpenMS::Internal::PASEFHillCentroider
{
  struct OPENMS_DLLAPI Params
  {
    double mz_tol_ppm = 8.0;
 
    double valley_factor = 1.3;
 
    Size min_hill_length = 1;
 
    double min_intensity = 0.0;
 
    double im_group_tolerance = 0.0;
 
    Size max_scan_gap = 0;
  };
 
  struct OPENMS_DLLAPI Centroid
  {
    double mz;          
    double intensity;   
    double im_apex;     
    double im_lower;    
    double im_upper;    
    double mz_lower;    
    double mz_upper;    
    Size   length;      
  };
 
  OPENMS_DLLAPI std::vector<Centroid>
  centroidFrame(const double* mz_values,
                const double* intensities,
                const double* im_values,
                std::size_t n,
                const Params& p,
                const std::uint32_t* scan_indices = nullptr);
 
} // namespace OpenMS::Internal::PASEFHillCentroider