public void PeakPicking(IRangeSelection peakPicking)
{
if (Light == null && Heavy == null)
{
return;
}
CheckAlignment();
//找到轻重标记中最高峰所在transaction
SrmTransition maxTrans = null;
SrmTransition another = null;
if (Light == null)
{
maxTrans = Heavy;
}
else if (Heavy == null)
{
maxTrans = Light;
}
else if (LightMaxIntensity > HeavyMaxIntensity)
{
maxTrans = Light;
another = Heavy;
}
else
{
maxTrans = Heavy;
another = Light;
}
peakPicking.Select(maxTrans);
//设置另外一半相对应的区域。
if (another != null)
{
for (int i = 0; i < maxTrans.Intensities.Count; i++)
{
another.Intensities[i].Enabled = maxTrans.Intensities[i].Enabled;
}
}
}
/// <summary>
/// 根据给定算法进行区间选择
/// </summary>
/// <param name="peakPicking">区间选择算法</param>
/// <param name="deductBaseLine">是否需要去除基线</param>
public void PeakPicking(IRangeSelection peakPicking, SrmOptions options)
{
//首先，每个独立进行peakpicking。
foreach (var product in ProductIonPairs)
{
product.PeakPicking(peakPicking);
product.CalculateRatio(options);
product.Enabled = false;
}
if (options.RefineData && ProductIonPairs.Count > 1)
{
//如果所有scan都是false，直接返回。
if (!ProductIonPairs.Any(m => m.EnabledScanCount > 0))
{
return;
}
int maxIndex;
if (IsPaired)
{
//选择correlation最高的一个作为标准
var maxCorr = double.MinValue;
maxIndex = -1;
for (int i = 0; i < ProductIonPairs.Count; i++)
{
if (ProductIonPairs[i].EnabledScanCount == 0)
{
continue;
}
if (maxCorr < ProductIonPairs[i].RegressionCorrelation)
{
maxCorr = ProductIonPairs[i].RegressionCorrelation;
maxIndex = i;
}
}
}
else//只有轻标结果
{
var maxIntensity = 0.0;
maxIndex = 0;
for (int i = 0; i < ProductIonPairs.Count; i++)
{
var intensities = (from s in ProductIonPairs[i].Light.Intensities
where s.Enabled
select s.Intensity).ToList();
if (intensities.Count > 0)
{
var maxInt = intensities.Max();
if (maxIntensity < maxInt)
{
maxIntensity = maxInt;
maxIndex = i;
}
}
}
}
var rts = (from m in ProductIonPairs[maxIndex].Light.Intensities
where m.Enabled
orderby m.RetentionTime
select m.RetentionTime).ToList();
this.SetEnabledRetentionTimeRange(rts.First(), rts.Last());
}
this.CalculateTransactionRatio(options);
}
