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Merge pull request #184 from ypriverol/master
Fix bug about PROXI terms
2 parents 29d4e59 + ad510dd commit 43b8e2c

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+9
-8
lines changed

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-8
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.gitignore

Lines changed: 1 addition & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -5,3 +5,4 @@ obj/
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*.sln.DotSettings.user
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.vs/
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*.csproj.user
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.vscode/

Query/ProxiSpectrumReader.cs

Lines changed: 8 additions & 8 deletions
Original file line numberDiff line numberDiff line change
@@ -100,9 +100,9 @@ public List<ProxiSpectrum> Retrieve()
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reaction = SpectrumWriter.GetReaction(scanEvent, scanNumber);
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}
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103-
proxiSpectrum.AddAttribute(accession: "MS:10003057", name: "scan number",
103+
proxiSpectrum.AddAttribute(accession: "MS:1003057", name: "scan number",
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value: scanNumber.ToString(CultureInfo.InvariantCulture));
105-
proxiSpectrum.AddAttribute(accession: "MS:10000016", name: "scan start time",
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proxiSpectrum.AddAttribute(accession: "MS:1000016", name: "scan start time",
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value: (time * 60).ToString(CultureInfo.InvariantCulture));
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proxiSpectrum.AddAttribute(accession: "MS:1000511", name: "ms level",
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value: ((int) scanFilter.MSOrder).ToString(CultureInfo.InvariantCulture));
@@ -128,7 +128,7 @@ public List<ProxiSpectrum> Retrieve()
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//injection time
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if (ionInjectionTime != null)
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{
131-
proxiSpectrum.AddAttribute(accession: "MS:10000927", name: "ion injection time",
131+
proxiSpectrum.AddAttribute(accession: "MS:1000927", name: "ion injection time",
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value: ionInjectionTime.ToString(), cvGroup: cvGroup.ToString());
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proxiSpectrum.AddAttribute(accession: "UO:0000028", name: "millisecond",
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cvGroup: cvGroup.ToString());
@@ -140,7 +140,7 @@ public List<ProxiSpectrum> Retrieve()
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// Store the precursor information
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var selectedIonMz =
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SpectrumWriter.CalculateSelectedIonMz(reaction, monoisotopicMz, isolationWidth);
143-
proxiSpectrum.AddAttribute(accession: "MS:10000744", name: "selected ion m/z",
143+
proxiSpectrum.AddAttribute(accession: "MS:1000744", name: "selected ion m/z",
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value: selectedIonMz.ToString(CultureInfo.InvariantCulture));
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proxiSpectrum.AddAttribute(accession: "MS:1000827",
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name: "isolation window target m/z",
@@ -159,24 +159,24 @@ public List<ProxiSpectrum> Retrieve()
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// scan polarity
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if (scanFilter.Polarity == PolarityType.Positive)
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{
162-
proxiSpectrum.AddAttribute(accession: "MS:10000465", name: "scan polarity",
162+
proxiSpectrum.AddAttribute(accession: "MS:1000465", name: "scan polarity",
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value: "positive scan", valueAccession: "MS:1000130");
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}
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else
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{
167-
proxiSpectrum.AddAttribute(accession: "MS:10000465", name: "scan polarity",
167+
proxiSpectrum.AddAttribute(accession: "MS:1000465", name: "scan polarity",
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value: "negative scan", valueAccession: "MS:1000129");
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}
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171171
// charge state
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if (charge != null)
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{
174-
proxiSpectrum.AddAttribute(accession: "MS:10000041", name: "charge state",
174+
proxiSpectrum.AddAttribute(accession: "MS:1000041", name: "charge state",
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value: charge.ToString());
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}
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// write the filter string
179-
proxiSpectrum.AddAttribute(accession: "MS:10000512", name: "filter string",
179+
proxiSpectrum.AddAttribute(accession: "MS:1000512", name: "filter string",
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value: scanEvent.ToString());
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double[] masses = null;

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