public List <ScanMetadata> ReadScanMetadata()
{
var data = new List <ScanMetadata>();
var numScans = rawFile.GetNumScans();
data.Capacity = numScans + 5;
for (var i = 1; i <= numScans; i++)
{
var infoGood = rawFile.GetScanInfo(i, out clsScanInfo info);
if (!infoGood)
{
continue;
}
var ionInjectionTime = double.Parse(info.ScanEvents.FirstOrDefault(x => x.Key.StartsWith("Ion Injection Time", StringComparison.OrdinalIgnoreCase)).Value ?? "0");
var scan = new ScanMetadata
{
ScanNumber = i,
RetentionTime = info.RetentionTime,
TIC = info.TotalIonCurrent,
BPI = info.BasePeakIntensity,
MSLevel = info.MSLevel,
IonInjectionTime = ionInjectionTime
};
data.Add(scan);
}
return(data);
}
public List <ScanMetadata> ReadScanMetadata()
{
var data = new List <ScanMetadata>();
using (var rawReader = rawReaderThreader.CreateThreadAccessor())
{
if (!rawReader.SelectMsData())
{
// Dataset has no MS data. Return.
return(data);
}
var header = rawReader.RunHeaderEx;
var minScan = header.FirstSpectrum;
var maxScan = header.LastSpectrum;
var numScans = header.SpectraCount;
data.Capacity = numScans + 5;
for (var i = minScan; i <= maxScan; i++)
{
var scan = new ScanMetadata {
ScanNumber = i
};
//scan.RetentionTime = rawReader.RetentionTimeFromScanNumber(i);
var scanStats = rawReader.GetScanStatsForScanNumber(i);
scan.RetentionTime = scanStats.StartTime;
scan.TIC = scanStats.TIC;
scan.BPI = scanStats.BasePeakIntensity;
//scan.MSLevel = scanStats.ScanEventNumber;
var scanEvents = rawReader.GetScanEventForScanNumber(i);
scan.MSLevel = (int)scanEvents.MSOrder;
var extra = rawReader.GetTrailerExtraInformation(i);
var converted = Enumerable.Range(0, extra.Length).Select(x => new KeyValuePair <string, string>(extra.Labels[x], extra.Values[x]))
.ToList();
scan.IonInjectionTime = double.Parse(converted.FirstOrDefault(x => x.Key.StartsWith("Ion Injection Time", StringComparison.OrdinalIgnoreCase)).Value ?? "0");
data.Add(scan);
}
}
return(data);
}
