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Optimize imaging spectrum bin accumulation #792

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Merged
YukiMatsuzawa merged 1 commit into from
Sep 7, 2026
Merged

Optimize imaging spectrum bin accumulation #792

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20 changes: 10 additions & 10 deletions src/MSDIAL5/MsdialCore/Utility/DataAccess.cs
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Original file line number Diff line number Diff line change
Expand Up @@ -1044,14 +1044,14 @@ public static List<SpectrumPeak> CalcAccumulatedMs2Spectra(IDataProvider provide
var massSpectra = spectrum.Spectrum;
foreach (var s in massSpectra) {
var massBin = (int)(s.Mz * 1000);
if (!spectrumBin.ContainsKey(massBin)) {
if (!spectrumBin.TryGetValue(massBin, out var binnedSpectrum)) {
spectrumBin[massBin] = new double[3] { s.Mz, s.Intensity, s.Intensity };
}
else {
spectrumBin[massBin][1] += s.Intensity;
if (spectrumBin[massBin][2] < s.Intensity) {
spectrumBin[massBin][0] = s.Mz;
spectrumBin[massBin][2] = s.Intensity;
binnedSpectrum[1] += s.Intensity;
if (binnedSpectrum[2] < s.Intensity) {
binnedSpectrum[0] = s.Mz;
binnedSpectrum[2] = s.Intensity;
}
}
}
Expand All @@ -1072,15 +1072,15 @@ public static List<SpectrumPeak> CalcAccumulatedMs2Spectra(IDataProvider provide
var massSpectra = spectrum.Spectrum;
foreach (var s in massSpectra) {
var massBin = (int)(s.Mz * 1000);
if (!spectrumBin.ContainsKey(massBin)) {
if (!spectrumBin.TryGetValue(massBin, out var binnedSpectrum)) {
// [accurate mass, intensity, max intensity]
spectrumBin[massBin] = new double[3] { s.Mz, s.Intensity, s.Intensity };
}
else {
spectrumBin[massBin][1] += s.Intensity;
if (spectrumBin[massBin][2] < s.Intensity) {
spectrumBin[massBin][0] = s.Mz;
spectrumBin[massBin][2] = s.Intensity;
binnedSpectrum[1] += s.Intensity;
if (binnedSpectrum[2] < s.Intensity) {
binnedSpectrum[0] = s.Mz;
binnedSpectrum[2] = s.Intensity;
}
}
}
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