public RetentionTimeSummary(Statistics statistics)
: base(statistics)
{
Min = statistics.Min();
Max = statistics.Max();
}
private void ValidateTimeRange(GraphChromatogram graphChromatogram, double[] msMsRTs, double range, double gradientLength)
{
var statMsMsRTs = new Statistics(msMsRTs);
double minRT = double.MaxValue, maxRT = double.MinValue;
foreach (var curve in graphChromatogram.CurveList)
{
minRT = Math.Min(minRT, curve.Points[0].X);
maxRT = Math.Max(maxRT, curve.Points[curve.NPts - 1].X);
}
if (statMsMsRTs.Min() < range/2)
{
Assert.AreEqual(minRT, 0.0, 1);
minRT = statMsMsRTs.Min() - range/2;
}
if (statMsMsRTs.Max() > gradientLength - range/2)
{
Assert.AreEqual(maxRT, gradientLength, 1);
maxRT = statMsMsRTs.Max() + range/2;
}
double msMsRtsRange = statMsMsRTs.Range();
double rangeActual = maxRT - minRT - msMsRtsRange;
if (Math.Abs(range - rangeActual) > 0.2)
{
// Some cases with very wide range of scans may not have enough gradient
// to accomodate the desired range.
string message = string.Format("Expected: {0}, Actual: {1}, RangeIds: {2}, Min: {3}, Max: {4}, MinIds: {5}, MaxIds: {6}",
range, rangeActual, msMsRtsRange, minRT, maxRT, statMsMsRTs.Min(), statMsMsRTs.Max());
Assert.IsTrue(msMsRtsRange > 10, message);
Assert.IsTrue(rangeActual > range - 1, message);
}
}
