private List <MatchedData> GetMatchedData(XmlReader xmlReader)
{
List <MassPoint> lstMassPoint = new List <MassPoint>();
List <MatchedData> lstMatchedData = new List <MatchedData>();
List <MatchedData> lstTemp = null;
MassScan scanMS = new MassScan();
PeptideModResBLL peModResBLL = new PeptideModResBLL(DBName);
ParameterModel model = this.SaveControlToModel();
peModResBLL.ParameterModel = model;
bool bSingle = false;
int iScanCount = 0;
int currentCnt = 0;
int allCnt = (int)99998;
int avgCnt = 0;
int surplusCnt = 0;
if (allCnt >= 90)
{
avgCnt = allCnt / 90;
}
else
{
avgCnt = (int)Math.Round(90.0 / allCnt, MidpointRounding.AwayFromZero);
surplusCnt = (int)Math.Round((avgCnt - 90.0 / allCnt) * allCnt);
}
while (xmlReader.Read())
{
if (xmlReader.Name == "sha1")
{
break;
}
if (xmlReader.NodeType != XmlNodeType.Element)
{
continue;
}
if (xmlReader.Name == "msRun")
{
xmlReader.MoveToAttribute("scanCount");
iScanCount = int.Parse(xmlReader.Value);
if (allCnt > iScanCount)
{
allCnt = iScanCount;
if (allCnt >= 90)
{
avgCnt = allCnt / 90;
}
else
{
avgCnt = (int)Math.Round(90.0 / allCnt, MidpointRounding.AwayFromZero);
surplusCnt = (int)Math.Round((avgCnt - 90.0 / allCnt) * allCnt);
}
}
if (iScanCount == 1)
{
bSingle = true;
}
}
if (xmlReader.Name == "scan")
{
if (!xmlReader.HasAttributes)
{
continue;
}
//判断 是MS 还是MS2
xmlReader.MoveToAttribute("msLevel");
if ("1".Equals(xmlReader.Value))
{
xmlReader.MoveToAttribute("num");
scanMS.Index = UInt32.Parse(xmlReader.Value);
xmlReader.MoveToAttribute("msLevel");
scanMS.MsLevel = UInt32.Parse(xmlReader.Value);
xmlReader.MoveToAttribute("peaksCount");
scanMS.PeaksCount = UInt32.Parse(xmlReader.Value);
xmlReader.MoveToAttribute("polarity");
scanMS.Polarity = xmlReader.Value == "+" ? true : false;
xmlReader.MoveToAttribute("basePeakIntensity");
scanMS.BasePeakIntensity = double.Parse(xmlReader.Value);
while (xmlReader.Read())
{
if (xmlReader.Name == "peaks")
{
scanMS.IsPeaks = true;
scanMS.Peaks = xmlReader.ReadInnerXml();
lstMassPoint = Base64Convert.CalcMz(scanMS.Peaks, scanMS.PeaksCount);
break;
}
}
}
else if ("2".Equals(xmlReader.Value))
{
//读取属性
MassScan scanMS2 = new MassScan();
xmlReader.MoveToAttribute("num");
scanMS2.Index = UInt32.Parse(xmlReader.Value);
xmlReader.MoveToAttribute("msLevel");
scanMS2.MsLevel = UInt32.Parse(xmlReader.Value);
xmlReader.MoveToAttribute("peaksCount");
scanMS2.PeaksCount = UInt32.Parse(xmlReader.Value);
xmlReader.MoveToAttribute("polarity");
scanMS2.Polarity = xmlReader.Value == "+" ? true : false;
xmlReader.MoveToAttribute("basePeakIntensity");
scanMS2.BasePeakIntensity = double.Parse(xmlReader.Value);
while (xmlReader.Read())
{
if (xmlReader.NodeType != XmlNodeType.Element)
{
continue;
}
if (xmlReader.Name == "precursorMz")
{
xmlReader.MoveToAttribute("activationMethod");
scanMS2.ScanType = xmlReader.Value;
xmlReader.MoveToElement();
scanMS2.PrecursorMz = float.Parse(xmlReader.ReadInnerXml());
}
if (xmlReader.Name == "peaks")
{
scanMS2.Peaks = xmlReader.ReadInnerXml();
break;
}
}
if (bSingle == true)
{
if (scanMS2 == null)
{
return(null);
}
lstTemp = peModResBLL.getMSMatchs(scanMS2);
if (lstTemp != null && lstTemp.Count != 0)
{
lstMatchedData.AddRange(lstTemp);
}
return(lstMatchedData);
}
if (scanMS.IsPeaks == true)
{
if (scanMS2.Index >= 1 && scanMS2.Index <= 99999)
{
lstTemp = peModResBLL.getMSMatchs(scanMS, scanMS2);
if (lstTemp != null && lstTemp.Count != 0)
{
lstMatchedData.AddRange(lstTemp);
}
if (allCnt <= 0)
{
}
else if (allCnt >= 90)
{
currentCnt++;
}
else
{
currentCnt++;
}
}
}
}
else
{
continue;
}
}
}
return(lstMatchedData);
}
public List<MatchedData> getMSMatchs(MassScan msScan2)
{
testParameter.IPMD = ParameterModel.MS_IPMD;
testParameter.IPACO = ParameterModel.MS_IPACO;
testParameter.IPAD = ParameterModel.MS_IPAD;
testParameter.IPADOM = ParameterModel.MS_IPADOM;
testParameter.IPMDOM = ParameterModel.MS_IPMDOM;
testParameter.IPADO = ParameterModel.MS_IPADO;
testParameter.IPMDO = ParameterModel.MS_IPMDO;
if (testParameter.IPMD > testParameter.IPMDOM)
testParameter.IPMDOM = testParameter.IPMD;
if (testParameter.IPAD > testParameter.IPADOM)
testParameter.IPADOM = testParameter.IPAD;
//testParameter.Window = 5;
testParameter.PAT = ParameterModel.MS_PAT;
List<MatchedData> matchedDataList = new List<MatchedData>();
List<ModResModel> modResFromDB = peptideModResDAL.getPmFromDB(testParameter.IPACO);
MatchedData matchedData = null;
List<MassPoint> msFromDB = null;
for (int k = 0; k < modResFromDB.Count; k++)
{
msFromDB = modResFromDB[k].Mass_Point;
matchedData = new MatchedData();
//matchedData.MatchedMsDataExp = msReturn.ToList();
matchedData.MatchedMsDataExp = new List<MassPoint>();
//matchedData.MatchedMsDataExp = msReturn.ToList();
matchedData.MatchedMsDataTheo = msFromDB;
matchedData.ID = modResFromDB[k].ID;
matchedData.MOD_RES = modResFromDB[k].Mod_Res;
matchedData.Z = modResFromDB[k].Z;
matchedData.Z = 15;
matchedData.Repository = "";
matchedData.TheoMZ = modResFromDB[k].M_Z.ToString(); matchedData.NMFS = "";
matchedData.Sequence = modResFromDB[k].Sequence;
matchedData.Actualpmfs = "";
//matchedData.Index = 1;
matchedDataList.Add(matchedData);
}
if (matchedDataList.Count > 0)
{
for (int j = 0; j < matchedDataList.Count; j++)
{
matchedData = matchedDataList[j];
if (ParameterModel.MS2_SA == 1)
{
getMS2MatchsTopDown(msScan2, matchedData);
matchedDataList[j].ScreeningApproach = "TopDown";
}
else
{
getMS2MatchsTargeted(msScan2, matchedData);
matchedDataList[j].ScreeningApproach = "Targeted";
}
try
{
matchedDataList[j].NMFS = matchedDataList[j].MatchedMs2.Count().ToString();
}
catch
{
matchedDataList[j].NMFS = "0";
}
matchedData.Index = "1";
//Console.WriteLine("matched MS2:\t" + matchedData.MatchedMs2.Count.ToString());
}
}
return matchedDataList;
}
public void getMS2MatchsTopDown(MassScan msScan2, MatchedData matchedData)
{
testParameter.IPMD = ParameterModel.MS2_IPMD;
testParameter.IPACO = ParameterModel.MS2_IPACO;
testParameter.IPAD = ParameterModel.MS2_IPAD;
testParameter.IPADOM = ParameterModel.MS2_IPADOM;
testParameter.IPMDOM = ParameterModel.MS2_IPMDOM;
testParameter.IPADO = ParameterModel.MS2_IPADO;
testParameter.IPMDO = ParameterModel.MS2_IPMDO;
if (testParameter.IPMD > testParameter.IPMDOM)
testParameter.IPMDOM = testParameter.IPMD;
if (testParameter.IPAD > testParameter.IPADOM)
testParameter.IPADOM = testParameter.IPAD;
//testParameter.Window = 5;
testParameter.PAT = ParameterModel.MS2_FAT;
List<MassPoint> ms2FromFile = null;
List<MassPoint> msFromDB = null;
//ModResModel ms2Matched = new ModResModel();
List<ModResModel> MatchedMs2 = new List<ModResModel>();
double maxInten = msScan2.BasePeakIntensity;
//���˵�5%���µķ�
ms2FromFile = Base64Convert.CalcMz(msScan2.Peaks, msScan2.PeaksCount);
List<MassPoint> msFromFileReal = getRealMS2FromFile(ms2FromFile, testParameter.PAT, maxInten);
List<string[]> fmValue = peptideModResDAL.getFmFromDB(matchedData.ID, matchedData.MOD_RES, msScan2.ScanType, matchedData.Sequence);
if (fmValue.Count == 0)
{
return;
}
while (true)
{
//ȡ����ߵ�1
int maxMZIndex = getMaxMZ(msFromFileReal);
if (maxMZIndex == -1)
{
break;
}
if (maxMZIndex == 157)
{
maxMZIndex = 157;
}
//����ƫ��
double deviationInten = msFromFileReal[maxMZIndex].Mass - msFromFileReal[maxMZIndex].Mass / (testParameter.IPMD / 1000000.0 + 1.0);
//MS��ߵ���DBƥ�� �������㴦��
List<ModResModel> modResFromDB = getFMPointInfo(msFromFileReal[maxMZIndex].Mass, deviationInten, fmValue, matchedData.Z, testParameter.IPACO);
msFromFileReal[maxMZIndex].IsSearch = false;
if (modResFromDB == null)
{
//û��ƥ����
continue;
}
else
{
for (int k = 0; k < modResFromDB.Count; k++)
{
msFromDB = modResFromDB[k].Mass_Point;
int maxMZindex_DB = Convert.ToInt16(modResFromDB[k].M_Z);
//��һƥ����ͼ
List<MassPoint> msReturn = comparePMAll(msFromFileReal, maxMZIndex, maxMZindex_DB, msFromDB);
if (modResFromDB[k].ID == "B5")
{
modResFromDB[k].ID = "B5";
}
//��֤ƥ������ƥ��
if (getComparePercentage(msReturn, maxMZindex_DB, msFromDB))
{
ModResModel ms2Matched = new ModResModel();
double baseIntens = msFromFileReal[maxMZIndex].Intensity;
ms2Matched.Mass_Point = new List<MassPoint>(msFromDB.ToArray());
ms2Matched.Mass_Point_FromFile = new List<MassPoint>();
for (int j = 0; j < msReturn.Count; j++)
{
MassPoint massPoint = new MassPoint();
massPoint.Index = msReturn[j].Index;
//massPoint.Intensity = new Double();
massPoint.Intensity = msReturn[j].Intensity;
massPoint.IPAD_R = msReturn[j].IPAD_R;
massPoint.IPADOM_R = msReturn[j].IPADOM_R;
massPoint.IPMD_R = msReturn[j].IPMD_R;
massPoint.IPMDOM_R = msReturn[j].IPMDOM_R;
massPoint.Mass = msReturn[j].Mass;
massPoint.Index = msReturn[j].Index;
massPoint.IntensityPercentage = msReturn[j].IntensityPercentage;
ms2Matched.Mass_Point_FromFile.Add(massPoint);
}
ms2Matched.Z = modResFromDB[k].Z;
ms2Matched.ID = modResFromDB[k].ID;
MatchedMs2.Add(ms2Matched);
//matchedData.MatchedMs2DataExp = ms2Matched;
for (int j = 0; j < msReturn.Count; j++)
{
baseIntens = msFromFileReal[j].Intensity / msReturn[j].IntensityPercentage;
msFromFileReal[msReturn[j].MatchIndex].Intensity =
msFromFileReal[msReturn[j].MatchIndex].Intensity - (baseIntens * msFromDB[j].Intensity);
}
}
}
}
}
matchedData.MatchedMs2 = MatchedMs2;
}
public List<MatchedData> getMSMatchs(MassScan msScan, MassScan msScan2)
{
List<MatchedData> matchedDataList = new List<MatchedData>();
testParameter.IPMD = ParameterModel.MS_IPMD;
testParameter.IPACO = ParameterModel.MS_IPACO;
testParameter.IPAD = ParameterModel.MS_IPAD;
testParameter.IPADOM = ParameterModel.MS_IPADOM;
testParameter.IPMDOM = ParameterModel.MS_IPMDOM;
testParameter.IPADO = ParameterModel.MS_IPADO;
testParameter.IPMDO = ParameterModel.MS_IPMDO;
if (testParameter.IPMD > testParameter.IPMDOM)
testParameter.IPMDOM = testParameter.IPMD;
if (testParameter.IPAD > testParameter.IPADOM)
testParameter.IPADOM = testParameter.IPAD;
testParameter.Window = Convert.ToInt16(ParameterModel.MS_WINDOW / 2);
testParameter.PAT = ParameterModel.MS_PAT;
double ms2Point = msScan2.PrecursorMz;
double maxInten = msScan.BasePeakIntensity;
MatchedData matchedData = new MatchedData();
//Console.WriteLine("scanMS.Index Begin2 " + DateTime.Now);
//Console.WriteLine("scanMS.Index Begin3 " + DateTime.Now);
List<MassPoint> msFromFile;
List<MassPoint> msFromDB = null;
//���ļ�ȡ��MS��ͼ
msFromFile = Base64Convert.CalcMz(msScan.Peaks, msScan.PeaksCount);
Console.WriteLine("scanMS.Index Begin4 " + DateTime.Now);
//����MS2����
List<MassPoint> msFromFileOpenWindow = getOpenWindowFromFile(msFromFile, testParameter.Window, ms2Point);
//List<MassPoint> msFromFileOpenWindow = msFromFile;
Console.WriteLine("scanMS.Index Begin5 " + DateTime.Now);
//���˵�5%���µķ�
List<MassPoint> msFromFileReal = getRealMS2FromFile(msFromFileOpenWindow, testParameter.PAT, maxInten);
// Console.WriteLine("scanMS.Index Begin6 " + DateTime.Now);
//List<MassPoint> msFromFileReal = msFromFileOpenWindow;
int timesFlag = 0;
int maxMZIndex = 0;
while (timesFlag < 1000)
{
//ȡ����ߵ�1
maxMZIndex = getMaxMZ(msFromFileReal);
//Console.WriteLine("maxMZIndex.ToString()maxMZIndex.ToString()maxMZIndex.ToString()maxMZIndex.ToString() " + maxMZIndex.ToString());
if (maxMZIndex == -1)
{
break;
}
else
{
timesFlag = timesFlag + 1;
}
//����ƫ��
double deviationInten = msFromFileReal[maxMZIndex].Mass - msFromFileReal[maxMZIndex].Mass / (testParameter.IPMD / 1000000.0 + 1.0);
//MS��ߵ���DBƥ�� �������㴦��
//Console.WriteLine("scanMS.Index Begin7 " + DateTime.Now);
List<ModResModel> modResFromDB = peptideModResDAL.getPmFromDB(msFromFileReal[maxMZIndex].Mass, deviationInten, testParameter.IPACO);
//Console.WriteLine("scanMS.Index Begin8 " + DateTime.Now);
msFromFileReal[maxMZIndex].IsSearch = false;
if (modResFromDB.Count == 0)
{
//û��ƥ����
continue;
}
else
{
//����ƥ��������߷������ƥ���ϵ��б��
bool compareFlag = false;
string Forumla = "";
List<MassPoint> msReturn = new List<MassPoint>(); ;
for (int k = 0; k < modResFromDB.Count; k++)
{
msFromDB = modResFromDB[k].Mass_Point;
if (Forumla == modResFromDB[k].Forumla && compareFlag == true)
{
matchedData = new MatchedData();
//matchedData.MatchedMsDataExp = msReturn.ToList();
matchedData.MatchedMsDataExp = new List<MassPoint>();
foreach (MassPoint item in msReturn)
{
MassPoint cloneMasspoint = new MassPoint();
cloneMasspoint.Index = item.Index;
cloneMasspoint.Intensity = item.Intensity;
cloneMasspoint.IntensityPercentage = item.IntensityPercentage;
cloneMasspoint.IPAD_R = item.IPAD_R;
cloneMasspoint.IPADOM_R = item.IPADOM_R;
cloneMasspoint.IPMD_R = item.IPMD_R;
cloneMasspoint.IPMDOM_R = item.IPMDOM_R;
cloneMasspoint.Mass = item.Mass;
cloneMasspoint.MatchIndex = item.MatchIndex;
matchedData.MatchedMsDataExp.Add(cloneMasspoint);
}
//matchedData.MatchedMsDataExp = msReturn.ToList();
matchedData.MatchedMsDataTheo = msFromDB;
matchedData.ID = modResFromDB[k].ID;
matchedData.MOD_RES = modResFromDB[k].Mod_Res;
matchedData.Z = modResFromDB[k].Z;
matchedData.Repository = "";
matchedData.ExpMZ = (msFromFileReal[maxMZIndex].Mass).ToString();
matchedData.TheoMZ = modResFromDB[k].M_Z.ToString();
matchedData.Error_PPM = Convert.ToString(((msFromFileReal[maxMZIndex].Mass - modResFromDB[k].M_Z) / modResFromDB[k].M_Z) * 1000000);
matchedData.Index = msScan2.Index.ToString();
matchedData.ExpMass_DA = Convert.ToString(((msFromFileReal[maxMZIndex].Mass - modResFromDB[k].M_Z) / modResFromDB[k].M_Z) * 1000000);
matchedData.NMFS = "";
matchedData.Actualpmfs = "";
matchedData.Sequence = modResFromDB[k].Sequence;
matchedDataList.Add(matchedData);
continue;
}
Forumla = modResFromDB[k].Forumla;
// MZ_FromDB = modResFromDB[0].M;
compareFlag = false;
int maxMZindex_DB = Convert.ToInt16(modResFromDB[k].M);
//��һƥ����ͼ
msReturn = comparePMAll(msFromFileReal, maxMZIndex, maxMZindex_DB, msFromDB); //��֤ƥ������ƥ��
if (getComparePercentage(msReturn, maxMZindex_DB, msFromDB))
{
compareFlag = true;
matchedData = new MatchedData();
//matchedData.MatchedMsDataExp = new List<MassPoint>();
matchedData.MatchedMsDataExp = new List<MassPoint>();
foreach (MassPoint item in msReturn)
{
MassPoint cloneMasspoint = new MassPoint();
cloneMasspoint.Index = item.Index;
cloneMasspoint.Intensity = item.Intensity;
cloneMasspoint.IntensityPercentage = item.IntensityPercentage;
cloneMasspoint.IPAD_R = item.IPAD_R;
cloneMasspoint.IPADOM_R = item.IPADOM_R;
cloneMasspoint.IPMD_R = item.IPMD_R;
cloneMasspoint.IPMDOM_R = item.IPMDOM_R;
cloneMasspoint.Mass = item.Mass;
cloneMasspoint.MatchIndex = item.MatchIndex;
matchedData.MatchedMsDataExp.Add(cloneMasspoint);
}
matchedData.MatchedMsDataTheo = msFromDB;
matchedData.ID = modResFromDB[k].ID;
matchedData.MOD_RES = modResFromDB[k].Mod_Res;
matchedData.Z = modResFromDB[k].Z;
matchedData.Index = msScan2.Index.ToString();
matchedData.Repository = "";
matchedData.ExpMZ = (msFromFileReal[maxMZIndex].Mass).ToString();
matchedData.TheoMZ = modResFromDB[k].M_Z.ToString();
matchedData.Error_PPM = Convert.ToString(((msFromFileReal[maxMZIndex].Mass - modResFromDB[k].M_Z) / modResFromDB[k].M_Z) * 1000000);
matchedData.ExpMass_DA = Convert.ToString(((msFromFileReal[maxMZIndex].Mass - modResFromDB[k].M_Z) / modResFromDB[k].M_Z) * 1000000);
matchedData.NMFS = "";
matchedData.Actualpmfs = "";
matchedData.Sequence = modResFromDB[k].Sequence;
matchedDataList.Add(matchedData);
//break;
for (int i = 0; i < msFromFileReal.Count; i++)
{
double baseIntens = 0.0;
for (int j = 0; j < msReturn.Count; j++)
{
baseIntens = msFromFileReal[j].Intensity / msReturn[j].IntensityPercentage;
msFromFileReal[msReturn[j].MatchIndex].Intensity =
msFromFileReal[msReturn[j].MatchIndex].Intensity - (baseIntens * msFromDB[j].Intensity);
}
}
}
}
if (matchedData != null)
break;
}
}
if (matchedDataList.Count > 0)
{
for (int j = 0; j < matchedDataList.Count; j++)
{
matchedData = matchedDataList[j];
if (ParameterModel.MS2_SA == 1)
{
getMS2MatchsTopDown(msScan2, matchedData);
matchedDataList[j].ScreeningApproach = "TopDown";
}
else
{
getMS2MatchsTargeted(msScan2, matchedData);
matchedDataList[j].ScreeningApproach = "Targeted";
}
if (matchedDataList[j].MatchedMs2 == null)
matchedDataList[j].NMFS = "0";
else
matchedDataList[j].NMFS = matchedDataList[j].MatchedMs2.Count().ToString();
//Console.WriteLine("matched MS2:\t" + matchedData.MatchedMs2.Count.ToString());
}
}
return matchedDataList;
}
public void getMS2MatchsTargeted(MassScan msScan2, MatchedData matchedData)
{
//testParameter.IPMD = 10;
//testParameter.IPACO = 5;
//testParameter.IPAD = 50;
//testParameter.IPADOM = 100;
//testParameter.IPMDOM = 30;
//testParameter.IPADO = 20;
//testParameter.IPMDO = 20;
//testParameter.Window = 5;
//testParameter.PAT = 0.2;
testParameter.IPMD = ParameterModel.MS2_IPMD;
testParameter.IPACO = ParameterModel.MS2_IPACO;
testParameter.IPAD = ParameterModel.MS2_IPAD;
testParameter.IPADOM = ParameterModel.MS2_IPADOM;
testParameter.IPMDOM = ParameterModel.MS2_IPMDOM;
testParameter.IPADO = ParameterModel.MS2_IPADO;
testParameter.IPMDO = ParameterModel.MS2_IPMDO;
if (testParameter.IPMD > testParameter.IPMDOM)
testParameter.IPMDOM = testParameter.IPMD;
if (testParameter.IPAD > testParameter.IPADOM)
testParameter.IPADOM = testParameter.IPAD;
//testParameter.Window = 5;
testParameter.PAT = ParameterModel.MS2_FAT;
//if (msScan2.ScanType == "CID")
//{
// return;
//}
List<MassPoint> ms2FromFile = null;
List<MassPoint> msFromDB = null;
//ModResModel ms2Matched = new ModResModel();
List<ModResModel> MatchedMs2 = new List<ModResModel>();
double maxInten = msScan2.BasePeakIntensity;
//���˵�5%���µķ�
ms2FromFile = Base64Convert.CalcMz(msScan2.Peaks, msScan2.PeaksCount);
List<MassPoint> msFromFileReal = getRealMS2FromFile(ms2FromFile, testParameter.PAT, maxInten);
List<string[]> fmValue = peptideModResDAL.getFmFromDB(matchedData.ID, matchedData.MOD_RES, msScan2.ScanType, matchedData.Sequence);
if (fmValue.Count == 0)
{
return;
}
//msFromDB = getFMDataPoints(fmValue);
for (int i = 0; i < fmValue[0].Count(); i++)
{
//��һƥ����ͼ
List<ModResModel> modResFromDB = comparePMFromDB(fmValue[0][i], fmValue[1][i], fmValue[2][i], msFromFileReal, matchedData.Z, testParameter.IPACO);
if (modResFromDB.Count > 1)
{
//modResFromDB = null;
}
for (int m = 0; m < modResFromDB.Count; m++)
{
if (modResFromDB[m].ID == "Y40")
{
modResFromDB[m].ID = "Y40";
}
msFromDB = modResFromDB[m].Mass_Point;
int maxMZIndex = Convert.ToInt16(modResFromDB[m].M);//��ʱʹ��
int maxMZindex_DB = Convert.ToInt16(modResFromDB[m].M_Z);
//��һƥ����ͼ
List<MassPoint> msReturn = comparePMAll(msFromFileReal, maxMZIndex, maxMZindex_DB, msFromDB);
//��֤ƥ������ƥ��
if (getComparePercentage(msReturn, maxMZindex_DB, msFromDB))
{
ModResModel ms2Matched = new ModResModel();
double baseIntens = msFromFileReal[maxMZIndex].Intensity;
ms2Matched.Mass_Point = new List<MassPoint>(msFromDB.ToArray());
ms2Matched.Mass_Point_FromFile = new List<MassPoint>();
for (int j = 0; j < msReturn.Count; j++)
{
MassPoint massPoint = new MassPoint();
massPoint.Index = msReturn[j].Index;
//massPoint.Intensity = new Double();
massPoint.Intensity = msReturn[j].Intensity;
massPoint.IPAD_R = msReturn[j].IPAD_R;
massPoint.IPADOM_R = msReturn[j].IPADOM_R;
massPoint.IPMD_R = msReturn[j].IPMD_R;
massPoint.IPMDOM_R = msReturn[j].IPMDOM_R;
massPoint.Mass = msReturn[j].Mass;
massPoint.Index = msReturn[j].Index;
massPoint.IntensityPercentage = msReturn[j].IntensityPercentage;
ms2Matched.Mass_Point_FromFile.Add(massPoint);
}
//matchedData.ID = modResFromDB[0].ID;
//matchedData.MOD_RES = modResFromDB[0].Mod_Res;
//matchedData.Z = modResFromDB[0].Z;
ms2Matched.Z = modResFromDB[m].Z;
ms2Matched.ID = modResFromDB[m].ID;
MatchedMs2.Add(ms2Matched);
//matchedData.MatchedMs2DataExp = ms2Matched;
for (int j = 0; j < msReturn.Count; j++)
{
//ms2Matched.Mass_Point_FromFile[j].Intensity = new Double();
//ms2Matched.Mass_Point_FromFile[j].Intensity = msFromFileReal[msReturn[j].MatchIndex].Intensity;
baseIntens = msFromFileReal[j].Intensity / msReturn[j].IntensityPercentage;
msFromFileReal[msReturn[j].MatchIndex].Intensity =
msFromFileReal[msReturn[j].MatchIndex].Intensity - (baseIntens * msFromDB[j].Intensity);
//if (maxInten * testParameter.IPACO / 100 > msFromFileReal[msReturn[j].MatchIndex].Intensity)
//{
// msFromFileReal[msReturn[j].MatchIndex].Intensity = 0;
//}
}
}
}
}
matchedData.MatchedMs2 = MatchedMs2;
//for (int i = 0; i < MatchedMs2.Count; i++)
//{
// Console.WriteLine("Ion: " + MatchedMs2[i].ID + "\t" + "Z: " + MatchedMs2[i].Z);
// for (int j = 0; j < MatchedMs2[i].Mass_Point.Count; j++)
// {
// Console.WriteLine("Mass: \t " + MatchedMs2[i].Mass_Point[j].Mass + "\t" + MatchedMs2[i].Mass_Point_FromFile[j].Mass + "\tIntensity: \t" + MatchedMs2[i].Mass_Point[j].Intensity + "\t" + MatchedMs2[i].Mass_Point_FromFile[j].IntensityPercentage + "\t" + MatchedMs2[i].Mass_Point_FromFile[j].IPAD_R);
// }
//}
}
