single-run.mzQC

{ "mzQC": {
    "creationDate": "2020-12-01T11:56:34",
    "version": "1.0.0",
    "contactName": "Mathias Walzer",
    "contactAddress": "walzer@ebi.ac.uk",
    "runQualities": [
      {
        "metadata": {
          "inputFiles": [
            {
              "location": "ftp://ftp.pride.ebi.ac.uk/pride/data/archive/2014/09/PXD000966/CPTAC_CompRef_00_iTRAQ_01_2Feb12_Cougar_11-10-09.raw",
              "name": "CPTAC_CompRef_00_iTRAQ_01_2Feb12_Cougar_11-10-09.trfr.t3.mzML",
              "fileFormat": {
                "accession": "MS:1000584",
                "name": "mzML format"
              },
              "fileProperties": [
                {
                  "accession": "MS:1000747",
                  "name": "completion time",
                  "value": "2012-02-03 11:00:41"
                },
                {
                  "accession": "MS:1000569",
                  "name": "SHA-256",
                  "value": "82ff4545ab8ab85252a4c5bc2c62abbfd04021ef5fefce145386bf27ae663a0f"
                },
                {
                  "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:4000059",
            "name": "Number of MS1 spectra",
            "value": 5074
          },
          {
            "accession": "QC:4000060",
            "name": "Number of MS2 spectra",
            "value": 14812
          },
          {
            "accession": "QC:4000135",
            "name": "Number of chromatograms",
            "value": 1
          },
          {
            "accession": "QC:4000138",
            "name": "MZ acquisition range",
            "value": [ 300.157287597656,1778.8639 ]
          },
          {
            "accession": "QC:4000139",
            "name": "RT acquisition range",
            "value": [ 0.2959,5969.8172 ]
          }
        ]
      }
    ],
    "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": "0.1.0"
      },
      {
        "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"
      }
    ]
  }
}