public void mzidTest() { XmlSerializer _indexedSerializer = new XmlSerializer(typeof(mzIdentML.Generated.MzIdentMLType)); var _mzid = new mzIdentML.Generated.MzIdentMLType(); _mzid.DataCollection = new mzIdentML.Generated.DataCollectionType(); _mzid.DataCollection.AnalysisData = new mzIdentML.Generated.AnalysisDataType(); _mzid.DataCollection.AnalysisData.SpectrumIdentificationList = new mzIdentML.Generated.SpectrumIdentificationListType[1]; _mzid.DataCollection.AnalysisData.SpectrumIdentificationList[0] = new mzIdentML.Generated.SpectrumIdentificationListType(); _mzid.DataCollection.AnalysisData.SpectrumIdentificationList[0].SpectrumIdentificationResult = new mzIdentML.Generated.SpectrumIdentificationResultType[1]; _mzid.DataCollection.AnalysisData.SpectrumIdentificationList[0].SpectrumIdentificationResult[0] = new mzIdentML.Generated.SpectrumIdentificationResultType(); _mzid.DataCollection.AnalysisData.SpectrumIdentificationList[0].SpectrumIdentificationResult[0].spectrumID = "spectrum 2"; _mzid.DataCollection.AnalysisData.SpectrumIdentificationList[0].SpectrumIdentificationResult[0].SpectrumIdentificationItem = new mzIdentML.Generated.SpectrumIdentificationItemType[1]; _mzid.DataCollection.AnalysisData.SpectrumIdentificationList[0].SpectrumIdentificationResult[0].SpectrumIdentificationItem[0] = new mzIdentML.Generated.SpectrumIdentificationItemType(); _mzid.DataCollection.AnalysisData.SpectrumIdentificationList[0].SpectrumIdentificationResult[0].SpectrumIdentificationItem[0].experimentalMassToCharge = 1134.2609130203 + 0.000001 * 1134.2609130203 + 0.000001; _mzid.DataCollection.AnalysisData.SpectrumIdentificationList[0].SpectrumIdentificationResult[0].SpectrumIdentificationItem[0].calculatedMassToCharge = 1134.26091302033; _mzid.DataCollection.AnalysisData.SpectrumIdentificationList[0].SpectrumIdentificationResult[0].SpectrumIdentificationItem[0].calculatedMassToChargeSpecified = true; _mzid.DataCollection.AnalysisData.SpectrumIdentificationList[0].SpectrumIdentificationResult[0].SpectrumIdentificationItem[0].chargeState = 3; _mzid.DataCollection.AnalysisData.SpectrumIdentificationList[0].SpectrumIdentificationResult[0].SpectrumIdentificationItem[0].cvParam = new mzIdentML.Generated.CVParamType[1]; _mzid.DataCollection.AnalysisData.SpectrumIdentificationList[0].SpectrumIdentificationResult[0].SpectrumIdentificationItem[0].cvParam[0] = new mzIdentML.Generated.CVParamType(); _mzid.DataCollection.AnalysisData.SpectrumIdentificationList[0].SpectrumIdentificationResult[0].SpectrumIdentificationItem[0].cvParam[0].value = 100.ToString(); _mzid.SequenceCollection = new mzIdentML.Generated.SequenceCollectionType(); _mzid.SequenceCollection.PeptideEvidence = new mzIdentML.Generated.PeptideEvidenceType[1]; _mzid.SequenceCollection.PeptideEvidence[0] = new mzIdentML.Generated.PeptideEvidenceType(); _mzid.SequenceCollection.PeptideEvidence[0].isDecoy = false; _mzid.SequenceCollection.Peptide = new mzIdentML.Generated.PeptideType[1]; _mzid.SequenceCollection.Peptide[0] = new mzIdentML.Generated.PeptideType(); _mzid.SequenceCollection.Peptide[0].PeptideSequence = "GPEAPPPALPAGAPPPCTAVTSDHLNSLLGNILR"; _mzid.SequenceCollection.Peptide[0].Modification = new mzIdentML.Generated.ModificationType[1]; _mzid.SequenceCollection.Peptide[0].Modification[0] = new mzIdentML.Generated.ModificationType(); _mzid.SequenceCollection.Peptide[0].Modification[0].locationSpecified = true; _mzid.SequenceCollection.Peptide[0].Modification[0].location = 17; _mzid.SequenceCollection.Peptide[0].Modification[0].monoisotopicMassDeltaSpecified = true; _mzid.SequenceCollection.Peptide[0].Modification[0].monoisotopicMassDelta = 57.02146373; _mzid.SequenceCollection.Peptide[0].Modification[0].cvParam = new mzIdentML.Generated.CVParamType[1]; _mzid.SequenceCollection.Peptide[0].Modification[0].cvParam[0] = new mzIdentML.Generated.CVParamType(); _mzid.SequenceCollection.Peptide[0].Modification[0].cvParam[0].accession = "UNIMOD:4"; _mzid.SequenceCollection.Peptide[0].Modification[0].cvParam[0].name = "Carbamidomethyl"; _mzid.SequenceCollection.Peptide[0].Modification[0].cvParam[0].cvRef = "UNIMOD"; TextWriter writer = new StreamWriter("myIdentifications.mzid"); _indexedSerializer.Serialize(writer, _mzid); writer.Close(); var identifications = new MzidIdentifications("myIdentifications.mzid"); Assert.AreEqual(1134.26091302033, identifications.calculatedMassToCharge(0)); Assert.AreEqual(3, identifications.chargeState(0)); Assert.AreEqual(1, identifications.Count); Assert.AreEqual(1134.26091302033 + 0.000001 * 1134.2609130203 + 0.000001, identifications.experimentalMassToCharge(0), 1e-10); Assert.IsFalse(identifications.isDecoy(0)); Assert.AreEqual("UNIMOD:4", identifications.modificationAcession(0, 0)); Assert.AreEqual("UNIMOD", identifications.modificationDictionary(0, 0)); Assert.AreEqual(17, identifications.modificationLocation(0, 0)); Assert.AreEqual(2, identifications.ms2spectrumIndex(0)); Assert.AreEqual(1, identifications.NumModifications(0)); Assert.AreEqual("GPEAPPPALPAGAPPPCTAVTSDHLNSLLGNILR", identifications.PeptideSequenceWithoutModifications(0)); }