public List <IsosResult> getIsosResults(string isosInputFile, Globals.MSFileType fileType)
{
var isoUtil = new IsosResultUtilities();
isoUtil.LoadResults(isosInputFile, fileType);
return(isoUtil.Results);
}
public List <IsosResult> getIsosResults(string isosInputFile, Globals.MSFileType fileType, int minScan, int maxScan)
{
var isoUtil = new IsosResultUtilities();
isoUtil.LoadResults(isosInputFile, fileType);
return(isoUtil.Results.Where(p => p.ScanSet.PrimaryScanNumber >= minScan && p.ScanSet.PrimaryScanNumber <= maxScan).ToList());
}
public List <IsosResult> getIMFResults(string imfInputDirectory, int minFrame, int maxFrame)
{
var returnedResults = new List <IsosResult>();
var imfDirectory = new DirectoryInfo(imfInputDirectory);
var files = imfDirectory.GetFiles("*_isos.csv");
foreach (var file in files)
{
var currentFrame = getFrameFromFilename(file.Name);
if (currentFrame >= minFrame && currentFrame <= maxFrame)
{
var isoUtil = new IsosResultUtilities();
var isosFileName = file.FullName;
//string isosFileName = Path.Combine(Path.GetDirectoryName(file.FullName), Path.GetFileNameWithoutExtension(file.FullName) + "_isos.csv");
isoUtil.LoadResults(isosFileName, Globals.MSFileType.PNNL_IMS);
var isosResultsForFrame = convertIMFResultsToUIMFResults(currentFrame, isoUtil.Results);
returnedResults.AddRange(isosResultsForFrame);
}
}
return(returnedResults);
}
public List <IsosResult> getIsosResults(string isosInputFile, DeconTools.Backend.Globals.MSFileType filetype)
{
var isoutil = new IsosResultUtilities();
isoutil.LoadResults(isosInputFile, filetype);
return(isoutil.Results);
}
public string buildStatsForSingleIsosResultSet(List <IsosResult> resultList)
{
var sb = new StringBuilder();
var allResults = new IsosResultStats(resultList);
var cs1results = new IsosResultStats(IsosResultUtilities.getIsosResultsByChargeState(resultList, 1, IsosResultUtilities.enumLinqOperator.EqualTo));
var cs2results = new IsosResultStats(IsosResultUtilities.getIsosResultsByChargeState(resultList, 2, IsosResultUtilities.enumLinqOperator.EqualTo));
var cs3results = new IsosResultStats(IsosResultUtilities.getIsosResultsByChargeState(resultList, 3, IsosResultUtilities.enumLinqOperator.EqualTo));
var cs4results = new IsosResultStats(IsosResultUtilities.getIsosResultsByChargeState(resultList, 4, IsosResultUtilities.enumLinqOperator.EqualTo));
var greaterThanCS4results = new IsosResultStats(IsosResultUtilities.getIsosResultsByChargeState(resultList, 4, IsosResultUtilities.enumLinqOperator.greaterThan));
var stats = new List <IsosResultStats>();
stats.Add(allResults);
stats.Add(cs1results);
stats.Add(cs2results);
stats.Add(cs3results);
stats.Add(cs4results);
stats.Add(greaterThanCS4results);
allResults.Description = "all";
cs1results.Description = "1";
cs2results.Description = "2";
cs3results.Description = "3";
cs4results.Description = "4";
greaterThanCS4results.Description = ">4";
//build header
sb.Append("Z");
sb.Append("\t");
sb.Append("NumIsos");
sb.Append("\t");
sb.Append("AvgFit");
sb.Append("\t");
sb.Append("StdDevFit");
sb.Append(Environment.NewLine);
foreach (var statItem in stats)
{
statItem.FitAverage = IsosResultUtilities.getAverageScore(statItem.Results);
statItem.FitStdDev = IsosResultUtilities.getStdDevScore(statItem.Results);
statItem.Count = IsosResultUtilities.getCount(statItem.Results);
sb.Append(statItem.Description);
sb.Append("\t");
sb.Append(statItem.Count);
sb.Append("\t");
sb.Append(statItem.FitAverage.ToString("0.000"));
sb.Append("\t");
sb.Append(statItem.FitStdDev.ToString("0.000"));
sb.Append(Environment.NewLine);
}
return(sb.ToString());
}
public List <IsosResult> getUIMFResults(string uimfInputFile, int minFrame, int maxFrame)
{
var uimfIsoUtil = new IsosResultUtilities();
uimfIsoUtil.LoadResults(uimfInputFile, Globals.MSFileType.PNNL_UIMF, minFrame, maxFrame);
// List<IsosResult> filteredIsos = new List<IsosResult>();
//foreach (IsosResult result in uimfIsoUtil.Results)
//{
// UIMFIsosResult uimfResult = (UIMFIsosResult)result;
// if (uimfResult.FrameSet.PrimaryFrame >= minFrame && uimfResult.FrameSet.PrimaryFrame <= maxFrame)
// {
// filteredIsos.Add(result);
// }
//}
return(uimfIsoUtil.Results);
}