QC2_sample_example.mzQC

{ "mzQC": {
    "creationDate": "2020-12-03T19:51:02",
    "version": "1.0.0",
    "contactName": "Mathias Walzer", 
    "contactAddress": "walzer@ebi.ac.uk", 
    "description": "This is an example of an mzQC file produced from a proteomics QC2 sample. 20 ug dried Pierce HeLa protein digest standard from Thermo Fisher Scientific (Part number: 88329) are dissolved in 200 uL of 0.1% formic acid in water to a final concentration of 100 ng/uL. A total amount of 1 uL (100ng) is injected per analysis.",
    "runQualities": [
      {
        "metadata": {
          "inputFiles": [
            {
              "location": "/tmp/QC2_18052020.mzML",
              "name": "QC type 2 sample",
              "fileFormat": {
                "accession": "MS:1000584",
                "name": "mzML format"
              },
              "fileProperties": [
                {
                  "accession": "MS:1000747",
                  "name": "completion time",
                  "value": "2020-05-18 09:20:48"
                },
                {
                  "accession": "MS:1000569",
                  "name": "SHA-1",
                  "value": "fbe692c887404179518089abc670484c"
                },
                {
                  "accession": "MS:1000031",
                  "name": "instrument model",
                  "value": "LTQ Orbitrap Velos"
                }
              ]
            }
          ],
          "analysisSoftware": [
            {
              "accession": "MS:1001058",
              "name": "quality estimation by manual validation",
              "version": "0",
              "uri": "https://dx.doi.org/10.1021/pr201071t"
            },
            {
              "accession": "QC:0000000",
              "name": "QCCaclulator",
              "version": "0.9.0",
              "uri": "qccalculator.readthedocs.io"
            }
          ]
        },
        "qualityMetrics": [
          {
            "accession": "QC:4000060",
            "name": "Number of MS2 spectra",
            "value": 62299
          },
          {
            "accession": "QC:4000186",
            "name": "Total number of PSM",
            "value": 24765
          },
          {
            "accession": "QC:4000187",
            "name": "Number of identified peptides",
            "value": 22241
          },
          {
            "accession": "QC:4000185",
            "name": "Number of identified proteins",
            "value": "5504"
          },
          {
            "accession": "QC:4000244",
            "name": "QC2 sample mass accuracies",
            "value": {
              "Peptide sequences": ["YAEAVTR","STLTDSLVC(Carbamidomethyl)K","SLADELALVDVLEDK","NPDDITNEEYGEFYK","LAVDEEENADNNTK","FEELNMDLFR","EAALSTALSEK","DDVAQTDLLQIDPNFGSK","RFPGYDSESK","EATTEFSVDAR","EQFLDGDGWTSR","TPAQFDADELR","LGDLYEEEMR","EVSTYIK","FAFQAEVNR"],
              "Observed mass accuracies": [-0.2346854518740762,-0.08024023890884578,-0.1322012562867409,-0.2259441806378488,-0.10596535779273217,0.28345130855013684,-0.08600783742175504,-0.3683484942567654,-0.03348194493295555,-0.41789282666789496,-0.12794363836212685,0.0,0.0,0.0,0.0]
            }
	  },
          {
            "accession": "QC:4000242",
            "name": "QC2 sample MS1 feature areas",
            "value": {
              "Peptide sequences": ["YAEAVTR","STLTDSLVC(Carbamidomethyl)K","SLADELALVDVLEDK","NPDDITNEEYGEFYK","LAVDEEENADNNTK","FEELNMDLFR","EAALSTALSEK","DDVAQTDLLQIDPNFGSK","RFPGYDSESK","EATTEFSVDAR","EQFLDGDGWTSR","TPAQFDADELR","LGDLYEEEMR","EVSTYIK","FAFQAEVNR"],
              "Observed MS1 feature areas": [1234940000.0,922790000.0,80819100.0,478714000.0,254935000.0,52841200.0,243597000.0,24581800.0,707504000.0,129063000.0,205583000.0,0.0,0.0,0.0,0.0]
            }
          },
        ]
      }
    ],
    "controlledVocabularies": [
      {
        "name": "Proteomics Standards Initiative Quality Control Ontology",
        "uri": "https://github.com/HUPO-PSI/qcML-development/blob/master/cv/v0_1_0/qc-cv.obo",
        "version": "0.1.1"
      },
      {
        "name": "Proteomics Standards Initiative Mass Spectrometry Ontology",
        "uri": "https://github.com/HUPO-PSI/psi-ms-CV/blob/master/psi-ms.obo",
        "version": "4.1.7"
      }
    ]
  }
}