From c1d0c107bf3962b623616b3feecee1c7037c8771 Mon Sep 17 00:00:00 2001 From: "DESKTOP-382ETUR\\Hiroshi Tsugawa" Date: Wed, 11 Mar 2026 15:26:24 +0900 Subject: [PATCH 1/2] added quant mass property to masscenter --- src/MSDIAL5/MsdialCore/Utility/DataObjConverter.cs | 4 ++++ .../MsdialGcMsApi/Algorithm/Alignment/GcmsPeakJoiner.cs | 4 +++- 2 files changed, 7 insertions(+), 1 deletion(-) diff --git a/src/MSDIAL5/MsdialCore/Utility/DataObjConverter.cs b/src/MSDIAL5/MsdialCore/Utility/DataObjConverter.cs index eee695a80..45fe3a9ea 100644 --- a/src/MSDIAL5/MsdialCore/Utility/DataObjConverter.cs +++ b/src/MSDIAL5/MsdialCore/Utility/DataObjConverter.cs @@ -174,6 +174,10 @@ public static void SetRepresentativeProperty(AlignmentSpotProperty spot) { Mz = new MzValue(spot.MassCenter, representative.ChromXsTop.Mz.Unit), Drift = new DriftTime(alignedPeaks.Average(peak => peak.ChromXsTop.Drift.Value), representative.ChromXsTop.Drift.Unit), }; + + if (spot.QuantMass > 0) { + spot.MassCenter = spot.QuantMass; + } } public static AlignmentChromPeakFeature? GetRepresentativePeak(IReadOnlyList alignment) { diff --git a/src/MSDIAL5/MsdialGcMsApi/Algorithm/Alignment/GcmsPeakJoiner.cs b/src/MSDIAL5/MsdialGcMsApi/Algorithm/Alignment/GcmsPeakJoiner.cs index 19fe95205..1e42d82d4 100644 --- a/src/MSDIAL5/MsdialGcMsApi/Algorithm/Alignment/GcmsPeakJoiner.cs +++ b/src/MSDIAL5/MsdialGcMsApi/Algorithm/Alignment/GcmsPeakJoiner.cs @@ -76,6 +76,7 @@ private List ResetQuantMasses(List var reference = _refer.Refer(spot.MatchResults.Representative); if (reference is not null && _parameter.PeakPickBaseParam.IsInMassRange(reference.QuantMass)) { spot.MassCenter = reference.QuantMass; + spot.QuantMass = reference.QuantMass; results.Add(spot); continue; } @@ -90,6 +91,7 @@ private List ResetQuantMasses(List if (_parameter.IsRepresentativeQuantMassBasedOnBasePeakMz) { spot.QuantMass = msdec.Spectrum.Argmax(s => s.Intensity).Mass; + spot.MassCenter = spot.QuantMass; results.Add(spot); continue; } @@ -110,7 +112,7 @@ private List ResetQuantMasses(List else { spot.QuantMass = msdec.Spectrum.Argmax(s => s.Intensity).Mass; } - + spot.MassCenter = spot.QuantMass; results.Add(spot); } var counter = 0; From 58a153fe632f322f1963d8e6ffbc2c2b8392f7a5 Mon Sep 17 00:00:00 2001 From: YukiMatsuzawa <122433968+YukiMatsuzawa@users.noreply.github.com> Date: Wed, 11 Mar 2026 15:51:21 +0900 Subject: [PATCH 2/2] Add ContinueOnError to DownloadFile task --- src/MSDIAL4/MsDial/MSDIAL.csproj | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/MSDIAL4/MsDial/MSDIAL.csproj b/src/MSDIAL4/MsDial/MSDIAL.csproj index f8b047bbd..a3396ad56 100644 --- a/src/MSDIAL4/MsDial/MSDIAL.csproj +++ b/src/MSDIAL4/MsDial/MSDIAL.csproj @@ -258,7 +258,7 @@ <_DeployToItem Include="$(TargetDir)\*.lbm*" /> - + - \ No newline at end of file +