private IDoubleRange GetMzRange(string text)
{
if (string.IsNullOrWhiteSpace(text.Trim()))
{
return(null);
}
string[] tokens = text.Split('-');
if (tokens == null || tokens.Length == 0)
{
return(null);
}
IDoubleRange mzRange = null;
double mz1 = double.NaN;
double mz2 = double.NaN;
if (double.TryParse(tokens[0], out mz1))
{
if (tokens.Length > 1 && double.TryParse(tokens[1], out mz2))
{
mzRange = new DoubleRange(mz1, mz2, MidacUnits.MassToCharge);
}
else
{
// expand single numbers by +/- 1 amu
mzRange = new DoubleRange(mz1 - 0.5, mz1 + 0.5, MidacUnits.MassToCharge);
}
}
return(mzRange);
}
private void ReadFrameInfo(ref Stopwatch sw, int[] frameNumbers)
{
sw.Start();
for (int i = 0; i < frameNumbers.Length; i++)
{
int frame = frameNumbers[i];
IMidacFrameInfo frameInfo = m_reader.FrameInfo(frame);
IDoubleRange acqTimeRange = frameInfo.AcqTimeRange;
++m_msCount;
}
sw.Stop();
}
private void cbReadProfileTfs_Click(object sender, EventArgs e)
{
if (m_reader == null)
{
MessageBox.Show("File is not open");
return;
}
if (!m_reader.HasProfileTfsSpectra)
{
MessageBox.Show("This files doesn't have profile Total Frame Sepctra");
return;
}
int reps = 1;
int.TryParse(txtReps.Text, out reps);
// Get m/z ranges
m_doTic = rbChroTic.Checked;
m_mzRanges = new List <IDoubleRange>();
if (m_doTic)
{
double maxMz = m_reader.FileInfo.MaxFlightTimeBin;
m_reader.FileUnitConverter.Convert(MidacUnits.FlightTimeBinIndex, MidacUnits.MassToCharge, ref maxMz);
m_mzRanges.Add(new DoubleRange(5.0, maxMz, MidacUnits.MassToCharge));
}
else
{
IDoubleRange dr = GetMzRange(txtEic1.Text);
if (!DoubleRange.IsNullOrEmpty(dr))
{
m_mzRanges.Add(dr);
}
dr = GetMzRange(txtEic2.Text);
if (!DoubleRange.IsNullOrEmpty(dr))
{
m_mzRanges.Add(dr);
}
dr = GetMzRange(txtEic3.Text);
if (!DoubleRange.IsNullOrEmpty(dr))
{
m_mzRanges.Add(dr);
}
dr = GetMzRange(txtEic4.Text);
if (!DoubleRange.IsNullOrEmpty(dr))
{
m_mzRanges.Add(dr);
}
dr = GetMzRange(txtEic5.Text);
if (!DoubleRange.IsNullOrEmpty(dr))
{
m_mzRanges.Add(dr);
}
}
m_ftBinRanges = new List <IIntRange>();
IMidacUnitConverter converter = m_reader.FileUnitConverter;
foreach (IDoubleRange mzRange in m_mzRanges)
{
IDoubleRange mzClone = mzRange.Clone();
converter.Convert(MidacUnits.FlightTimeBinIndex, ref mzClone);
m_ftBinRanges.Add(new IntRange((int)mzClone.Min, (int)mzClone.Max));
}
try
{
cbBrowse.Enabled = false;
cbOpen.Enabled = false;
cbReadProfileTfs.Enabled = false;
cbReadFrameMs.Enabled = false;
gbProfileTfsFmt.Enabled = false;
int[] frameNumbers = null;
if (rbAllIonsHigh.Enabled)
{
IMidacMsFiltersChrom chromFilters = MidacFileAccess.DefaultMsChromFilters;
if (rbAllIonsHigh.Checked)
{
chromFilters.ApplicableFilters = ApplicableFilters.FragmentationClass;
chromFilters.FragmentationClass = FragmentationClass.HighEnergy;
}
else if (rbAllIonsLow.Checked)
{
chromFilters.ApplicableFilters = ApplicableFilters.FragmentationClass;
chromFilters.FragmentationClass = FragmentationClass.LowEnergy;
}
frameNumbers = m_reader.FilteredFrameNumbers(chromFilters);
}
else
{
frameNumbers = new int[m_reader.FileInfo.NumFrames];
for (int i = 0; i < frameNumbers.Length; i++)
{
frameNumbers[i] = i + 1;
}
}
Stopwatch sw = new Stopwatch();
sw.Reset();
lbStatus.Text = "Processing";
this.Refresh();
m_msCount = 0;
m_tic = 0.0;
m_sumPoints = 0;
m_sumNzPoints = 0;
for (int i = reps; i > 0; i--)
{
if (rbProfTfsFrameInfo.Checked)
{
ReadFrameInfo(ref sw, frameNumbers);
}
#if ENABLE_MHDAC_TESTS
if (rbProfTfsMhdac.Checked)
{
ReadProfTfsMhdac(ref sw, frameNumbers);
}
#endif
if (rbProfTfsMidacSpecDataExternal.Checked)
{
ReadProfTfsMidacSpecDataExternal(MidacSpecFormat.Profile, ref sw, frameNumbers);
}
if (rbProfZtTfsMidacSpecDataExternal.Checked)
{
ReadProfTfsMidacSpecDataExternal(MidacSpecFormat.ZeroTrimmed, ref sw, frameNumbers);
}
if (rbProfZbTfsMidacSpecDataExternal.Checked)
{
ReadProfTfsMidacSpecDataExternal(MidacSpecFormat.ZeroBounded, ref sw, frameNumbers);
}
if (rbProfMdTfsMidacSpecDataExternal.Checked)
{
ReadProfTfsMidacSpecDataExternal(MidacSpecFormat.Metadata, ref sw, frameNumbers);
}
if (rbReadTic.Checked)
{
ReadTic(ref sw, frameNumbers);
}
#if INTERNAL_TEST
// placeholder for internal tests
#endif
}
double ticks = sw.ElapsedTicks;
double ticksPerSec = Stopwatch.Frequency;
double milliseconds = 1000.0 * ticks / ticksPerSec / reps;
m_tic /= reps;
m_sumPoints /= reps;
m_sumNzPoints /= reps;
m_msCount /= reps;
if (rbProfTfsFrameInfo.Checked)
{
lbStatus.Text = string.Format("Done in {0:F3} ms ({1:F3} us/frame; {2} non-empty frames)",
milliseconds,
1000 * milliseconds / m_msCount,
m_msCount);
}
else if (rbReadTic.Checked)
{
lbStatus.Text = string.Format("Done in {0:F3} ms; (TIC = {1})",
milliseconds,
m_tic);
}
else
{
if (chkTfsDoSumming.Checked && !rbProfMdTfsMidacSpecDataExternal.Checked)
{
lbStatus.Text =
string.Format("Done in {0:##,0.###} ms ({1:##,0.###} us/frame; {2:##,0} non-empty spectra; TIC = {3:##,#}; Points = {4:##,0}; NZ = {5:##,0})",
milliseconds,
1000 * milliseconds / m_msCount,
m_msCount,
m_tic,
m_sumPoints,
m_sumNzPoints);
}
else
{
// no TIC value
lbStatus.Text =
string.Format("Done in {0:##,0.###} ms ({1:##,0.###} us/frame; {2:##,0} non-empty spectra; Points = {3:##,0}; NZ = {4:##,0})",
milliseconds,
1000 * milliseconds / m_msCount,
m_msCount,
m_sumPoints,
m_sumNzPoints);
}
}
}
finally
{
cbBrowse.Enabled = true;
cbOpen.Enabled = true;
cbReadProfileTfs.Enabled = true;
cbReadFrameMs.Enabled = true;
gbProfileTfsFmt.Enabled = true;
}
}
