xiAnnotator: two clusters with the same charge state and firstPeakid but different number of peaks

[lars-kolbowski]

Found something strange while looking through an annotation response. I noticed two clusters that seem to be duplicates (same charge and firstPeakId) but the number of peaks belonging to that cluster differs.
It looks like cluster 15 is a duplicate of cluster 14 only with 2 peaks less.
JSON request for this at the bottom.

cluster 14: {u'charge': 4, u'firstPeakId': 50}
Number of peaks with clusterId 14: 6
[{u'intensity': 367771.1875, u'clusterIds': [11, 14, 15], u'mz': 1138.0885009765625}, {u'intensity': 431464.125, u'clusterIds': [11, 12, 14, 15], u'mz': 1138.33642578125}, {u'intensity': 378532.59375, u'clusterIds': [11, 14, 15], u'mz': 1138.584716796875}, {u'intensity': 183980.390625, u'clusterIds': [11, 12, 13, 14, 15], u'mz': 1138.83154296875}, {u'intensity': 62690.01171875, u'clusterIds': [14, 16], u'mz': 1139.072998046875}, {u'intensity': 48702.94140625, u'clusterIds': [12, 14, 16], u'mz': 1139.3397216796875}]

cluster 15: {u'charge': 4, u'firstPeakId': 50}
Number of peaks with clusterId 15: 4
[{u'intensity': 367771.1875, u'clusterIds': [11, 14, 15], u'mz': 1138.0885009765625}, {u'intensity': 431464.125, u'clusterIds': [11, 12, 14, 15], u'mz': 1138.33642578125}, {u'intensity': 378532.59375, u'clusterIds': [11, 14, 15], u'mz': 1138.584716796875}, {u'intensity': 183980.390625, u'clusterIds': [11, 12, 13, 14, 15], u'mz': 1138.83154296875}]

JSON request:
{"LinkSite": [{"linkSite": 3, "id": 0, "peptideId": 0}, {"linkSite": 6, "id": 0, "peptideId": 1}], "Peptides": [{"sequence": [{"Modification": "", "aminoAcid": "A"}, {"Modification": "", "aminoAcid": "V"}, {"Modification": "", "aminoAcid": "E"}, {"Modification": "", "aminoAcid": "K"}, {"Modification": "", "aminoAcid": "L"}, {"Modification": "", "aminoAcid": "S"}, {"Modification": "", "aminoAcid": "V"}, {"Modification": "", "aminoAcid": "E"}, {"Modification": "", "aminoAcid": "A"}, {"Modification": "", "aminoAcid": "L"}, {"Modification": "", "aminoAcid": "N"}, {"Modification": "", "aminoAcid": "S"}, {"Modification": "", "aminoAcid": "L"}, {"Modification": "", "aminoAcid": "T"}, {"Modification": "", "aminoAcid": "G"}, {"Modification": "", "aminoAcid": "E"}, {"Modification": "", "aminoAcid": "F"}, {"Modification": "", "aminoAcid": "K"}]}, {"sequence": [{"Modification": "", "aminoAcid": "G"}, {"Modification": "", "aminoAcid": "K"}, {"Modification": "", "aminoAcid": "Y"}, {"Modification": "", "aminoAcid": "Y"}, {"Modification": "", "aminoAcid": "P"}, {"Modification": "", "aminoAcid": "L"}, {"Modification": "", "aminoAcid": "K"}, {"Modification": "", "aminoAcid": "S"}, {"Modification": "", "aminoAcid": "M"}, {"Modification": "", "aminoAcid": "T"}, {"Modification": "", "aminoAcid": "E"}, {"Modification": "", "aminoAcid": "Q"}, {"Modification": "", "aminoAcid": "E"}, {"Modification": "", "aminoAcid": "Q"}, {"Modification": "", "aminoAcid": "Q"}, {"Modification": "", "aminoAcid": "Q"}, {"Modification": "", "aminoAcid": "L"}, {"Modification": "", "aminoAcid": "I"}, {"Modification": "", "aminoAcid": "D"}, {"Modification": "", "aminoAcid": "D"}, {"Modification": "", "aminoAcid": "H"}, {"Modification": "", "aminoAcid": "F"}, {"Modification": "", "aminoAcid": "L"}, {"Modification": "", "aminoAcid": "F"}, {"Modification": "", "aminoAcid": "D"}, {"Modification": "", "aminoAcid": "K"}, {"Modification": "", "aminoAcid": "P"}, {"Modification": "", "aminoAcid": "V"}, {"Modification": "", "aminoAcid": "S"}, {"Modification": "", "aminoAcid": "P"}, {"Modification": "", "aminoAcid": "L"}, {"Modification": "", "aminoAcid": "L"}, {"Modification": "", "aminoAcid": "L"}, {"Modification": "", "aminoAcid": "A"}, {"Modification": "", "aminoAcid": "S"}, {"Modification": "", "aminoAcid": "G"}, {"Modification": "", "aminoAcid": "M"}, {"Modification": "", "aminoAcid": "A"}, {"Modification": "", "aminoAcid": "R"}]}], "peaks": [{"intensity": 6135.0634765625, "mz": 300.6128234863281}, {"intensity": 5978.58349609375, "mz": 342.039794921875}, {"intensity": 5858.51806640625, "mz": 350.8001403808594}, {"intensity": 6404.458984375, "mz": 367.07159423828125}, {"intensity": 6319.40673828125, "mz": 402.410888671875}, {"intensity": 7688.08740234375, "mz": 435.2239990234375}, {"intensity": 26355.6171875, "mz": 480.247314453125}, {"intensity": 6764.14599609375, "mz": 492.9193420410156}, {"intensity": 7218.390625, "mz": 514.2334594726562}, {"intensity": 20822.19921875, "mz": 521.25146484375}, 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{"intensity": 8957.6083984375, "mz": 1629.17431640625}, {"intensity": 8713.7626953125, "mz": 1990.0966796875}], "annotation": {"ions": [{"type": "PeptideIon"}, {"type": "BIon"}, {"type": "YIon"}], "modifications": [], "fragmentTolerance": {"tolerance": "10", "unit": "ppm"}, "precursorCharge": 6, "custom": ["loss:CleavableCrossLinkerPeptide:MASS:54.0105647;NAME:A", "loss:CleavableCrossLinkerPeptide:MASS:103.9932001;NAME:S", "loss:CleavableCrossLinkerPeptide:MASS:85.9826354;NAME:T"], "precursorMZ": 1098.564086914063, "cross-linker": {"modMass": 158.0037648}}}

[lutzfischer]

This is basically down to some code I did (more or less) did take over from the previous version of xi and then modified.
If a cluster gets to long (5 peaks or longer) it can get broken up into two cluster. But the old cluster still exists - probably does not make so much sense two keep the long cluster + the short cluster that starts at the same point.