public IsolationWindow(EditIsolationWindow isolationWindow)
{
Start = isolationWindow.Start.HasValue ? isolationWindow.Start.Value : TransitionFullScan.MIN_RES_MZ;
End = isolationWindow.End.HasValue ? isolationWindow.End.Value : TransitionFullScan.MAX_RES_MZ;
Target = isolationWindow.Target;
StartMargin = isolationWindow.StartMargin;
EndMargin = isolationWindow.EndMargin;
CERange = isolationWindow.CERange;
DoValidate();
}
private int FindErrorCell(EditIsolationWindow editWindow)
{
if (!editWindow.Start.HasValue)
{
return(COLUMN_START);
}
if (!editWindow.End.HasValue)
{
return(COLUMN_END);
}
if (cbSpecifyMargin.Checked && !editWindow.StartMargin.HasValue)
{
return(COLUMN_START_MARGIN);
}
if (cbSpecifyCERange.Checked && !editWindow.CERange.HasValue)
{
return(COLUMN_CE_RANGE);
}
return(-1);
}
private IList <EditIsolationWindow> CreateIsolationWindows()
{
var isolationWindows = new List <EditIsolationWindow>();
double start;
double end;
double windowWidth;
double margin;
int windowsPerScan = 0;
double overlap = Overlap;
double.TryParse(textMargin.Text, out margin);
// No isolation windows if we don't have enough information or it is nonsense.
if (!double.TryParse(textStart.Text, out start) ||
!double.TryParse(textEnd.Text, out end) ||
!double.TryParse(textWidth.Text, out windowWidth) ||
(Multiplexed && !int.TryParse(textWindowsPerScan.Text, out windowsPerScan)))
{
return(isolationWindows);
}
bool isIsolation = Equals(comboWindowType.SelectedItem, EditIsolationSchemeDlg.WindowType.MEASUREMENT);
if (isIsolation)
{
start += margin;
end -= margin;
windowWidth -= 2 * margin;
}
if (start >= end ||
windowWidth <= 0 ||
overlap >= 100 ||
(Multiplexed && windowsPerScan == 0))
{
return(isolationWindows);
}
// Calculate how many windows will be needed.
double windowStep = windowWidth * (100 - overlap) / 100;
int windowCount = (int)Math.Ceiling((end - start) / windowStep);
if (Multiplexed && windowCount % windowsPerScan != 0)
{
windowCount = (windowCount / windowsPerScan + 1) * windowsPerScan;
}
// For optimized window placement, we try to align windows with the low spots
// in m/z space. This requires us to adjust both the window width
// and the starting offset of the windows.
if (cbOptimizeWindowPlacement.Checked)
{
windowStep = Math.Ceiling(windowWidth * (100 - overlap) / 100) * OPTIMIZED_WINDOW_WIDTH_MULTIPLE;
windowWidth = Math.Ceiling(windowWidth) * OPTIMIZED_WINDOW_WIDTH_MULTIPLE;
start = Math.Ceiling(start / OPTIMIZED_WINDOW_WIDTH_MULTIPLE) * OPTIMIZED_WINDOW_WIDTH_MULTIPLE + OPTIMIZED_WINDOW_OFFSET;
}
while (start + (windowCount - 1) * windowStep + windowWidth > TransitionFullScan.MAX_RES_MZ || windowCount > MAX_GENERATED_WINDOWS)
{
windowCount -= Multiplexed ? windowsPerScan : 1;
}
double?ceRange = null;
if (!string.IsNullOrWhiteSpace(textCERange.Text))
{
double ceRangeValue;
if (double.TryParse(textCERange.Text, out ceRangeValue))
{
ceRange = ceRangeValue;
}
}
// Generate window list.
bool generateMargin = !Equals(margin, 0.0);
if (overlap > 0)
{
if (windowCount % 2 == 0)
{
windowCount++;
}
windowCount++;
start -= (windowWidth - windowStep);
}
for (int i = 0; i < windowCount; i++, start += windowStep)
{
// Apply instrument limits to method start and end.
var methodStart = Math.Max(start - margin, TransitionFullScan.MIN_RES_MZ);
var methodEnd = Math.Min(start + windowWidth + margin, TransitionFullScan.MAX_RES_MZ);
// Skip this isolation window if it is empty due to instrument limits.
if (methodStart + margin >= methodEnd - margin)
{
continue;
}
var window = new EditIsolationWindow
{
Start = methodStart + (isIsolation ? 0 : margin),
End = methodEnd - (isIsolation ? 0 : margin),
Target = null,
StartMargin = generateMargin ? (double?)margin : null,
EndMargin = generateMargin ? (double?)margin : null,
CERange = ceRange
};
if (overlap > 0)
{
var index = Math.Max(Math.Min(i % 2 == 1 ? i / 2 : i, isolationWindows.Count), 0);
isolationWindows.Insert(index, window);
// when optimized isolation windows are used the windows do not overlap evenly
// the window step must flip-flop between the smaller and larger overlapping region
windowStep = windowWidth - windowStep;
}
else
{
isolationWindows.Add(window);
}
}
return(isolationWindows);
}
private IList<EditIsolationWindow> CreateIsolationWindows()
{
var isolationWindows = new List<EditIsolationWindow>();
double start;
double end;
double windowWidth;
double margin;
int windowsPerScan = 0;
double overlap = Overlap;
double.TryParse(textMargin.Text, out margin);
// No isolation windows if we don't have enough information or it is nonsense.
if (!double.TryParse(textStart.Text, out start) ||
!double.TryParse(textEnd.Text, out end) ||
!double.TryParse(textWidth.Text, out windowWidth) ||
(Multiplexed && !int.TryParse(textWindowsPerScan.Text, out windowsPerScan)))
{
return isolationWindows;
}
bool isIsolation = Equals(comboWindowType.SelectedItem, EditIsolationSchemeDlg.WindowType.MEASUREMENT);
if (isIsolation)
{
start += margin;
end -= margin;
windowWidth -= 2*margin;
}
if (start >= end ||
windowWidth <= 0 ||
overlap >= 100 ||
(Multiplexed && windowsPerScan == 0))
{
return isolationWindows;
}
// Calculate how many windows will be needed.
double windowStep = windowWidth * (100 - overlap) / 100;
int windowCount = (int) Math.Ceiling((end - start) /windowStep);
if (Multiplexed && windowCount % windowsPerScan != 0)
{
windowCount = (windowCount/windowsPerScan + 1)*windowsPerScan;
}
// For optimized window placement, we try to align windows with the low spots
// in m/z space. This requires us to adjust both the window width
// and the starting offset of the windows.
if (cbOptimizeWindowPlacement.Checked)
{
windowStep = Math.Ceiling(windowWidth * (100 - overlap) / 100) * OPTIMIZED_WINDOW_WIDTH_MULTIPLE;
windowWidth = Math.Ceiling(windowWidth) * OPTIMIZED_WINDOW_WIDTH_MULTIPLE;
start = Math.Ceiling(start / OPTIMIZED_WINDOW_WIDTH_MULTIPLE) * OPTIMIZED_WINDOW_WIDTH_MULTIPLE + OPTIMIZED_WINDOW_OFFSET;
}
while (start + (windowCount-1) * windowStep + windowWidth > TransitionFullScan.MAX_RES_MZ || windowCount > MAX_GENERATED_WINDOWS)
{
windowCount -= Multiplexed ? windowsPerScan : 1;
}
double? ceRange = null;
if (!string.IsNullOrWhiteSpace(textCERange.Text))
{
double ceRangeValue;
if (double.TryParse(textCERange.Text, out ceRangeValue))
ceRange = ceRangeValue;
}
// Generate window list.
bool generateMargin = !Equals(margin, 0.0);
if (overlap > 0)
{
if (windowCount%2 == 0)
{
windowCount ++;
}
windowCount ++;
start -= (windowWidth - windowStep);
}
for (int i = 0; i < windowCount; i++, start += windowStep)
{
// Apply instrument limits to method start and end.
var methodStart = Math.Max(start - margin, TransitionFullScan.MIN_RES_MZ);
var methodEnd = Math.Min(start + windowWidth + margin, TransitionFullScan.MAX_RES_MZ);
// Skip this isolation window if it is empty due to instrument limits.
if (methodStart + margin >= methodEnd - margin)
continue;
var window = new EditIsolationWindow
{
Start = methodStart + (isIsolation ? 0 : margin),
End = methodEnd - (isIsolation ? 0 : margin),
Target = null,
StartMargin = generateMargin ? (double?)margin : null,
EndMargin = generateMargin ? (double?)margin : null,
CERange = ceRange
};
if (overlap > 0)
{
var index = Math.Max(Math.Min(i%2 == 1 ? i/2 : i, isolationWindows.Count), 0);
isolationWindows.Insert(index, window);
// when optimized isolation windows are used the windows do not overlap evenly
// the window step must flip-flop between the smaller and larger overlapping region
windowStep = windowWidth - windowStep;
}
else
isolationWindows.Add(window);
}
return isolationWindows;
}
