private void SetMSChart(MatchedData MatchData, string sFileName)
{
double[] expX = MatchData.MatchedMsDataExp.Select(md => md.Mass).ToArray <double>();
double[] expY = MatchData.MatchedMsDataExp.Select(md => md.IntensityPercentage * 100).ToArray <double>();
double[] theoX = MatchData.MatchedMsDataTheo.Select(md => md.Mass).ToArray <double>();
double[] theoY = MatchData.MatchedMsDataTheo.Select(md => md.Intensity * 100).ToArray <double>();
double[] iPAD = MatchData.MatchedMsDataExp.Select(md => md.IPAD_R).ToArray <double>();
double[] iPMD = MatchData.MatchedMsDataExp.Select(md => md.IPMD_R).ToArray <double>();
double minexpX = 0d;
double maxexpX = 0d;
double mintheoX = 0d;
double maxtheoX = 0d;
if (MatchData.MatchedMsDataExp.Count != 0)
{
minexpX = MatchData.MatchedMsDataExp.Min(md => SetMinValue(md.Mass));
maxexpX = MatchData.MatchedMsDataExp.Max(md => SetMaxValue(md.Mass));
}
if (MatchData.MatchedMsDataTheo.Count != 0)
{
mintheoX = MatchData.MatchedMsDataTheo.Min(md => SetMinValue(md.Mass));
maxtheoX = MatchData.MatchedMsDataTheo.Max(md => SetMaxValue(md.Mass));
}
if (minexpX == 0)
{
minexpX = mintheoX;
}
ChartCommon chart = new ChartCommon();
if (iPAD.Length != 0)
{
string chartAreasTopName = "chartAreasTop";
chart.CreateChartAreas(chartAreasTopName);
chart.SetChartAreasSetting(chartAreasTopName);
chart.SetChartAreasX(chartAreasTopName, Math.Min(minexpX, mintheoX), Math.Max(maxexpX, maxtheoX));
chart.SetChartAreasYInterval(chartAreasTopName, 100);
chart.SetChartAreasXInterval(chartAreasTopName, 0.5);
chart.ChartE.ChartAreas[chartAreasTopName].Position.Height = 20;
chart.ChartE.ChartAreas[chartAreasTopName].Position.Width = 100;
chart.ChartE.ChartAreas[chartAreasTopName].Position.X = 0;
chart.ChartE.ChartAreas[chartAreasTopName].Position.Y = 0;
chart.ChartE.ChartAreas[chartAreasTopName].AxisX.MajorGrid.Enabled = true;
chart.ChartE.ChartAreas[chartAreasTopName].AxisX.MajorGrid.LineColor = Color.Transparent;
chart.ChartE.ChartAreas[chartAreasTopName].AxisX.MajorTickMark.Enabled = true;
chart.ChartE.ChartAreas[chartAreasTopName].AxisX.MajorTickMark.LineColor = Color.Transparent;
chart.ChartE.ChartAreas[chartAreasTopName].AxisX.LabelStyle.Enabled = true;
chart.ChartE.ChartAreas[chartAreasTopName].AxisX.LineColor = Color.Transparent;
chart.ChartE.ChartAreas[chartAreasTopName].AxisX.LabelStyle.ForeColor = Color.Transparent;
chart.ChartE.ChartAreas[chartAreasTopName].AxisY.MajorGrid.Enabled = true;
chart.ChartE.ChartAreas[chartAreasTopName].AxisY.MajorGrid.LineColor = Color.Transparent;
chart.ChartE.ChartAreas[chartAreasTopName].AxisY.MajorTickMark.Enabled = true;
chart.ChartE.ChartAreas[chartAreasTopName].AxisY.MajorTickMark.LineColor = Color.Transparent;
chart.ChartE.ChartAreas[chartAreasTopName].AxisY.LabelStyle.Enabled = true;
chart.ChartE.ChartAreas[chartAreasTopName].AxisY.LineColor = Color.Transparent;
chart.ChartE.ChartAreas[chartAreasTopName].AxisY.LabelStyle.ForeColor = Color.Transparent;
chart.SetChartAreasYTitle(chartAreasTopName, "Relative Abundance (%)");
chart.ChartE.ChartAreas[chartAreasTopName].AxisY.TitleForeColor = Color.Transparent;
string seriesNamePMD_PAD = "iPMD_iPAD";
chart.CreateSeries(seriesNamePMD_PAD, chartAreasTopName, SeriesChartType.Spline, "", Color.Red);
chart.ChartE.Series[seriesNamePMD_PAD].IsVisibleInLegend = false;
chart.ChartE.Series[seriesNamePMD_PAD].Color = Color.Transparent;
if (theoX.Length > 1)
{
chart.ChartE.Series[seriesNamePMD_PAD].Points.AddXY(theoX[0] - (theoX[1] - theoX[0]), 0);
chart.ChartE.Series[seriesNamePMD_PAD].Points[0].Label = "IPAD" + "\n" + "IPMD";
}
else
{
chart.ChartE.Series[seriesNamePMD_PAD].Points.AddXY(theoX[0] - 5, 0);
chart.ChartE.Series[seriesNamePMD_PAD].Points[0].Label = "IPAD" + "\n" + "IPMD";
}
for (int x = 0; x < theoX.Length; x++)
{
chart.ChartE.Series[seriesNamePMD_PAD].Points.AddXY(theoX[x], 0);
if (iPMD[x] > -10000)
{
chart.ChartE.Series[seriesNamePMD_PAD].Points[x + 1].Label = ((int)iPAD[x]).ToString() + "\n" + ((int)iPMD[x]).ToString();
}
else
{
chart.ChartE.Series[seriesNamePMD_PAD].Points[x + 1].Label = "".ToString() + "\n" + "".ToString();
}
}
}
string chartAreasName = "chartAreas";
chart.CreateChartAreas(chartAreasName);
chart.SetChartAreasSetting(chartAreasName);
if (MatchData.MatchedMsDataExp.Count != 0)
{
chart.SetChartAreasX(chartAreasName, Math.Min(minexpX, mintheoX), Math.Max(maxexpX, maxtheoX));
}
else
{
chart.SetChartAreasX(chartAreasName, mintheoX, maxtheoX);
}
chart.SetChartAreasY(chartAreasName, 0, 100);
chart.SetChartAreasSetting(chartAreasName);
chart.SetChartAreasXInterval(chartAreasName, 0.5);
chart.SetChartAreasYInterval(chartAreasName, 20);
chart.SetChartAreasXTitle(chartAreasName, "m/z");
chart.SetChartAreasYTitle(chartAreasName, "Relative Abundance (%)");
chart.SetChartAreasXMajorTickMark(chartAreasName, true);
chart.SetChartAreasYMajorTickMark(chartAreasName, true);
chart.ChartE.ChartAreas[chartAreasName].Position.Height = 80;
chart.ChartE.ChartAreas[chartAreasName].Position.Width = 100;
chart.ChartE.ChartAreas[chartAreasName].Position.Y = 20;
string legendName = "legend";
chart.CreateLegend(legendName);
if (MatchData.MatchedMsDataExp.Count != 0)
{
string seriesNameExp = "exp";
chart.CreateSeries(seriesNameExp, chartAreasName, SeriesChartType.Candlestick, legendName, Color.Black);
chart.SetSeriesAddPoint(seriesNameExp, expX, expY);
chart.SetSeriesAddLegendText(seriesNameExp, "Experimental");
}
if (MatchData.MatchedMsDataTheo.Count != 0)
{
string seriesNameTheo = "theo";
chart.CreateSeries(seriesNameTheo, chartAreasName, SeriesChartType.Point, legendName, Color.Red);
chart.SetSeriesAddPoint(seriesNameTheo, theoX, theoY);
chart.SetSeriesAddLegendText(seriesNameTheo, "Theoretical");
}
chart.ChartE.Size = size;
chart.ChartE.SaveImage(sFileName, ChartImageFormat.Jpeg);
}
public void ExcelOut(List <MatchedData> lst, string sFileName)
{
System.Reflection.Missing miss = System.Reflection.Missing.Value;
MatchedData matchecdData = new MatchedData();
Excel.Application excelApplication = new Excel.Application();
Excel.Workbook excelWorkbook = excelApplication.Workbooks.Add();
excelApplication.UserControl = true;
excelApplication.Application.DisplayAlerts = false;
Excel.Worksheet excelWorksheet = (Excel.Worksheet)excelWorkbook.Sheets.Add(miss, miss, miss, miss);
excelWorksheet.Name = "Protein";
int iRow = 0;
try
{
for (int i = excelWorkbook.Sheets.Count; i >= 1; i--)
{
Excel.Worksheet excelWorksheetTemp = excelWorkbook.Sheets[i];
if (excelWorksheetTemp.Name != "Protein")
{
excelWorksheetTemp.Delete();
}
}
//Header
iRow = 1;
excelWorksheet.Cells[iRow, 1] = "Index";
excelWorksheet.Cells[iRow, 2] = "ID";
excelWorksheet.Cells[iRow, 3] = "MOD_RES";
excelWorksheet.Cells[iRow, 4] = "PTM_Score";
excelWorksheet.Cells[iRow, 5] = "TotalPTM_Score";
excelWorksheet.Cells[iRow, 6] = "Z";
excelWorksheet.Cells[iRow, 7] = "DatasetFile";
excelWorksheet.Cells[iRow, 8] = "Database";
excelWorksheet.Cells[iRow, 9] = "Repository";
excelWorksheet.Cells[iRow, 10] = "ScreeningApproach";
excelWorksheet.Cells[iRow, 11] = "ExpMZ";
excelWorksheet.Cells[iRow, 12] = "TheoMZ";
excelWorksheet.Cells[iRow, 13] = "Error_PPM";
excelWorksheet.Cells[iRow, 14] = "AccessionNumber";
excelWorksheet.Cells[iRow, 15] = "ProteinName";
excelWorksheet.Cells[iRow, 16] = "Length";
excelWorksheet.Cells[iRow, 17] = "Function";
excelWorksheet.Cells[iRow, 18] = "Sequence";
excelWorksheet.Cells[iRow, 19] = "NMFs";
excelWorksheet.Cells[iRow, 20] = "Actual_PMFs";
//Value
iRow = 2;
for (int i = 0; i < lst.Count; i++)
{
matchecdData = lst[i];
excelWorksheet.Cells[iRow, 1] = matchecdData.Index;
excelWorksheet.Cells[iRow, 2] = matchecdData.ID;
excelWorksheet.Cells[iRow, 3] = matchecdData.MOD_RES.Replace(";", "").Replace(",", "");
excelWorksheet.Cells[iRow, 4] = matchecdData.DataBase_PTM_SCORE;
excelWorksheet.Cells[iRow, 5] = matchecdData.Total_PTM_Score;
excelWorksheet.Cells[iRow, 6] = matchecdData.Z;
excelWorksheet.Cells[iRow, 7] = matchecdData.DatasetFile;
excelWorksheet.Cells[iRow, 8] = matchecdData.Database;
excelWorksheet.Cells[iRow, 9] = matchecdData.Repository;
excelWorksheet.Cells[iRow, 10] = matchecdData.ScreeningApproach;
excelWorksheet.Cells[iRow, 11] = matchecdData.ExpMZ;
excelWorksheet.Cells[iRow, 12] = matchecdData.TheoMZ;
excelWorksheet.Cells[iRow, 13] = matchecdData.Error_PPM;
excelWorksheet.Cells[iRow, 14] = matchecdData.AccessionNumber;
excelWorksheet.Cells[iRow, 15] = matchecdData.ProteinName;
excelWorksheet.Cells[iRow, 16] = matchecdData.Length;
excelWorksheet.Cells[iRow, 17] = matchecdData.Function;
excelWorksheet.Cells[iRow, 18] = matchecdData.Sequence;
excelWorksheet.Cells[iRow, 19] = matchecdData.NMFS;
excelWorksheet.Cells[iRow, 20] = matchecdData.Actualpmfs;
iRow++;
}
excelWorkbook.SaveAs(sFileName, miss, miss, miss, miss, miss, Excel.XlSaveAsAccessMode.xlNoChange, miss, miss, miss, miss, miss);
excelWorkbook.Close(false, miss, miss);
}
catch (Exception ex)
{
throw ex;
}
finally
{
matchecdData = null;
if (excelApplication != null)
{
excelApplication.Workbooks.Close();
excelApplication.Quit();
System.Runtime.InteropServices.Marshal.ReleaseComObject(excelApplication.Workbooks);
System.Runtime.InteropServices.Marshal.ReleaseComObject(excelApplication);
System.GC.Collect();
}
if (excelApplication != null)
{
IntPtr t = new IntPtr(excelApplication.Hwnd);
int k = 0;
GetWindowThreadProcessId(t, out k);
System.Diagnostics.Process p = System.Diagnostics.Process.GetProcessById(k);
p.Kill();
}
excelApplication = null;
GC.Collect();
}
}
