/// <summary>获取峰对象响应值</summary>
/// <param name="peak_list">峰对象集合</param>
/// <param name="qm">响应值类型选择</param>
/// <returns>返回响应值</returns>
protected static double GetResponseValue(Peak p, PeakQuantificationMethod.QualitativeMethod qm)
{
double _value = 0;
switch (qm)
{
case PeakQuantificationMethod.QualitativeMethod.qm_peakArea:
_value = p.PeakArea;
break;
case PeakQuantificationMethod.QualitativeMethod.qm_peakHeight:
_value = p.PeakHeight;
break;
case PeakQuantificationMethod.QualitativeMethod.qm_peakAreaSquareRoot:
_value = Math.Sqrt(p.PeakArea);
break;
case PeakQuantificationMethod.QualitativeMethod.qm_peakHeightSquareRoot:
_value = Math.Sqrt(p.PeakHeight);
break;
default:
_value = 0;
break;
}
if (double.IsNaN(_value))
{
_value = 0;
}
return(_value);
}
/// <summary>从多组标样中获取拟合曲线所需的点列表</summary>
/// <param name="peak_list">标准样品列表</param>
/// <param name="pqm">定量参数</param>
/// <returns>点列表</returns>
public static List <PointF> GetCalibrationCurve(List <Peak> peak_list, PeakQuantificationMethod.QualitativeMethod qm)
{
if (peak_list == null)
{
return(null);
}
List <PointF> _point_list = new List <PointF>();
foreach (Peak _p in peak_list)
{
//if (Double.IsNaN(_p.Capacity) || Double.IsInfinity(_p.Capacity) || _p.Capacity == 0)
if (Double.IsNaN(_p.Capacity) || Double.IsInfinity(_p.Capacity))
{
continue;
}
float _x = (float)(GetResponseValue(_p, qm));
float _y = (float)(_p.Capacity);
_point_list.Add(new PointF(_x, _y));
}
return((_point_list.Count > 0) ? _point_list : null);
}
/// <summary>从多组标样中获取拟合曲线所需的点列表</summary>
/// <param name="peak_list">标准样品列表</param>
/// <param name="pqm">定量参数</param>
/// <returns>点列表</returns>
public static List <PointF> GetCalibrationCurve(List <Peak> peak_list, PeakQuantificationMethod.QualitativeMethod qm)
{
if (peak_list == null)
{
return(null);
}
List <PointF> _point_list = new List <PointF>();
if ((peak_list.Count % 2) != 0)
{
return(null);
}
for (int i = 0; i < peak_list.Count; i += 2)
{
Peak _p = peak_list[i];
//if (Double.IsNaN(_p.Capacity) || Double.IsInfinity(_p.Capacity) || _p.Capacity == 0)
if (Double.IsNaN(_p.Capacity) || Double.IsInfinity(_p.Capacity))
{
continue;
}
Peak _isp = peak_list[i + 1];
float _x = (float)(GetResponseValue(_p, qm) * _isp.Capacity / GetResponseValue(_isp, qm));
float _y = (float)(_p.Capacity);
_point_list.Add(new PointF(_x, _y));
}
return((_point_list.Count > 0) ? _point_list : null);
}
/// <summary>获取峰对象响应值总和</summary>
/// <param name="peak_list">峰对象集合</param>
/// <param name="qm">相应值类型选择</param>
/// <param name="sm">求和参数</param>
/// <returns>返回求和值</returns>
protected static double GetResponseSum(List <Peak> peak_list, PeakQuantificationMethod.QualitativeMethod qm, PeakQuantificationMethod.SumMethod sm)
{
double _sum = 0;
List <Peak> _valid_peaks = null;
switch (sm)
{
case PeakQuantificationMethod.SumMethod.sm_normal:
_valid_peaks = peak_list.FindAll(CPeakFilter.FindNaturalPeak);
if (_valid_peaks != null)
{
foreach (Peak _p in _valid_peaks)
{
_sum += GetResponseValue(_p, qm);
}
}
break;
case PeakQuantificationMethod.SumMethod.sm_absolute_adjust:
case PeakQuantificationMethod.SumMethod.sm_relative_adjust:
_valid_peaks = peak_list.FindAll(CPeakFilter.FindCheckedPeak);
if (_valid_peaks != null)
{
foreach (Peak _p in _valid_peaks)
{
_sum += _p.AdjustFactor * GetResponseValue(_p, qm);
}
}
break;
default:
break;
}
return(_sum);
}
/// <summary>计算峰列表中每个有效峰的相对校正因子</summary>
/// <param name="std_peak_list">标准峰对象列表</param>
/// <param name="qm">响应值类型选择</param>
/// <returns>QualitativeErrorInfo枚举值</returns>
public static QualitativeErrorInfo GetAdjustFactor(List <Peak> std_peak_list, PeakQuantificationMethod.QualitativeMethod qm)
{
QualitativeErrorInfo _rc = QualitativeErrorInfo.Success;
double _factor = 0.0;
if (std_peak_list == null)
{
return(QualitativeErrorInfo.PeakListError);
}
//至少包含一个内标物和被测物
if (std_peak_list.Count < 2)
{
return(QualitativeErrorInfo.PeakListError);
}
//查找内标物
Peak _internal_standard_peak = std_peak_list.Find(CPeakFilter.FindInternalStandardPeak);
if (_internal_standard_peak == null)
{
return(QualitativeErrorInfo.InternalStandardError);
}
//计算内标物的绝对校正因子
_rc = CQuantificationBase.ComputeAbsoluteAdjustFactor(_internal_standard_peak, qm, ref _factor);
if (_rc != QualitativeErrorInfo.Success)
{
return(QualitativeErrorInfo.InternalStandardError);
}
_internal_standard_peak.AdjustFactor = _factor;
//计算未知物的校正因子(注意未知物列表要剔除内标物)
foreach (Peak _p in std_peak_list)
{
if (!CPeakFilter.FindCheckedPeak(_p) || ((_p.InternalStandard != null) && (_p.InternalStandard != "")))
{
continue;
}
_factor = 0.0;
_rc = CQuantificationBase.ComputeRelativeAdjustFactor(_p, _internal_standard_peak, qm, ref _factor);
if (_rc == QualitativeErrorInfo.Success)
{
_p.AdjustFactor = _factor;
}
}
return(_rc);
}
/// <summary>计算峰列表中每个有效峰的校正因子</summary>
/// <param name="std_peak_list">峰对象列表</param>
/// <param name="qm">响应值类型选择</param>
/// <returns>QualitativeErrorInfo枚举值</returns>
public static QualitativeErrorInfo GetAdjustFactor(List <Peak> std_peak_list, PeakQuantificationMethod.QualitativeMethod qm)
{
QualitativeErrorInfo _rc = QualitativeErrorInfo.Success;
try
{
List <Peak> _valid_peaks = std_peak_list.FindAll(CPeakFilter.FindCheckedPeak);
if (_valid_peaks != null)
{
foreach (Peak _p in _valid_peaks)
{
double _factor = 0.0;
_rc = ComputeAbsoluteAdjustFactor(_p, qm, ref _factor);
if (_rc == QualitativeErrorInfo.Success)
{
_p.AdjustFactor = _factor;
}
}
}
}
catch (System.Exception ex)
{
Debug.WriteLine(ex.Message);
_rc = QualitativeErrorInfo.PeakListError;
}
return(_rc);
}
/// <summary>计算指定峰相对对校正因子</summary>
/// <param name="std_peak">标准峰对象</param>
/// <param name="internal_standard_peak">内标峰对象</param>
/// <param name="qm">响应值类型选择</param>
/// <param name="adjust_factor">校正因子</param>
/// <returns>QualitativeErrorInfo枚举值</returns>
public static QualitativeErrorInfo ComputeRelativeAdjustFactor(Peak std_peak, Peak internal_standard_peak, PeakQuantificationMethod.QualitativeMethod qm, ref double adjust_factor)
{
double _absolute_adjust_factor = 0.0;
QualitativeErrorInfo _rc = CQuantificationExternal.ComputeAbsoluteAdjustFactor(std_peak, qm, ref _absolute_adjust_factor);
if (_rc != QualitativeErrorInfo.Success)
{
return(_rc);
}
if (internal_standard_peak.AdjustFactor == 0)
{
return(QualitativeErrorInfo.InternalStandardError);
}
adjust_factor = _absolute_adjust_factor / internal_standard_peak.AdjustFactor;
return(_rc);
}
/// <summary>计算指定峰绝对校正因子</summary>
/// <param name="std_peak">峰对象</param>
/// <param name="qm">响应值类型选择</param>
/// <param name="adjust_factor">校正因子</param>
/// <returns>QualitativeErrorInfo枚举值</returns>
public static QualitativeErrorInfo ComputeAbsoluteAdjustFactor(Peak std_peak, PeakQuantificationMethod.QualitativeMethod qm, ref double adjust_factor)
{
QualitativeErrorInfo _rc = QualitativeErrorInfo.CapacityError;
if (std_peak.Capacity >= 0 && !double.IsNaN(std_peak.Capacity))
{
adjust_factor = std_peak.Capacity / GetResponseValue(std_peak, qm);
_rc = QualitativeErrorInfo.Success;
}
return(_rc);
}
