public void RegressionTest()
{
var statPrecursorMzs = new Statistics(new[]
{
458.740356,
533.294964,
623.29589,
471.256174,
509.751255,
490.245806,
506.774731,
487.281857,
500.731477,
713.317688,
621.298432,
499.272978,
530.270147,
869.449568,
482.266541,
540.290213,
692.868631,
634.355888,
582.318971,
653.361701
});
var statCEs = new Statistics(new[]
{
17.911172,
18.446029,
25.50606,
17.33671,
23.645543,
18.982357,
19.544341,
17.881583,
18.33887,
24.566801,
22.438147,
17.289281,
23.343185,
29.875285,
17.711062,
18.683867,
23.871533,
22.8821,
20.112845,
25.528298
});
// Values for this CE optimization regression were verified in Excel
Assert.AreEqual(statCEs.ATerm2(statPrecursorMzs), 0.029982, 0.000001);
Assert.AreEqual(statCEs.BTerm2(statPrecursorMzs), 4.104255, 0.0000001);
Assert.AreEqual(statCEs.StdErrATerm2(statPrecursorMzs), 0.003872, 0.000001);
Assert.AreEqual(statCEs.StdErrBTerm2(statPrecursorMzs), 2.241899, 0.000001);
}