private void GetMethod(string rawPath)
{
var xcal = new XCaliburMethodReader(rawPath);
var data = xcal.GetAllTransitions();
foreach (var d in data.OrderBy(x => x.CompoundName))
{
Console.WriteLine(d);
}
}
private void ProcessTest(string rawPath, string resultPath)
{
var reader = new XCaliburSpectrumReader(rawPath);
var settings = new SettingsData()
{
DefaultIntensityThreshold = 10000
};
var methodReader = new XCaliburMethodReader(rawPath);
var compounds = methodReader.ReadMethodData(settings);
var results = reader.ReadSpectraData(compounds);
if (results == null)
{
return;
}
CompoundData.WriteCombinedResultsToFile(resultPath, results, settings);
}
