public static InternalStandard GetClosestInternalStandard(QuantPoint qPt, List <InternalStandard> internalStandards)
{
if (internalStandards.Count == 0)
{
return(null);
}
if (internalStandards.Count == 1)
{
return(internalStandards.First());
}
if (internalStandards.Count > 1)
{
double timeDiff = double.MaxValue;
InternalStandard holdStandard = null;
foreach (var standard in internalStandards)
{
var currDiff = Math.Abs(standard.ApexRT - qPt.ApexRT);
if (currDiff < timeDiff)
{
timeDiff = currDiff;
holdStandard = standard;
}
}
return(holdStandard);
}
return(null);
}
public static void PopulateReplicateQuantDict(Dictionary <int, Batch> batchDict, SQLiteConnection conn)
{
foreach (var batch in batchDict.Values)
{
foreach (var rep in batch.replicates)
{
var queryText = "SELECT s.GCMasterGroup_ID, s.QuantFeature_ID, s.ApexRT, s.QuantFeatureMZ, s.RTOffset, s.ApexIntensity FROM ReplicateQuant_Table s WHERE s.Replicate_ID=@ID";
var query = new SQLiteCommand(queryText, conn);
query.Parameters.AddWithValue("@ID", rep.replicateID);
var reader = query.ExecuteReader();
while (reader.Read())
{
var quantFeatureString = reader["QuantFeature_ID"].ToString();
if (!string.IsNullOrEmpty(quantFeatureString))
{
var quantFeatureID = int.Parse(quantFeatureString);
var gcGroupId = int.Parse(reader["GCMasterGroup_ID"].ToString());
var apexRT = double.Parse(reader["ApexRT"].ToString());
var quantFeatureMZ = double.Parse(reader["QuantFeatureMZ"].ToString());
var offset = double.Parse(reader["RTOffset"].ToString());
var apexIntensity = double.Parse(reader["ApexIntensity"].ToString());
var groupID = int.Parse(reader["GCMasterGroup_ID"].ToString());
//var name = reader["Name"].ToString();
var quantPt = new QuantPoint();
quantPt.ApexIntensity = apexIntensity;
quantPt.ApexIntensity_Normalized = apexIntensity;
quantPt.ApexRT = apexRT;
quantPt.BatchID = batch.batchID;
quantPt.ControlID = batch.controlID;
quantPt.FeatureID = quantFeatureID;
//quantPt.Name = name;
quantPt.MZ = quantFeatureMZ;
quantPt.ReplicateID = rep.replicateID;
rep.quantDictionary.Add(groupID, quantPt);
}
}
}
}
}