Data quality metrics extracted from 4kv3.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "1204b1ba41a95967b738cba73a240f5d",
  "space_group_name": "P 65",
  "unit_cell": {
    "a": 125.68,
    "b": 125.68,
    "c": 124.49,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.9100,2.200],
    "number_observations_unique": 56556,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.105
      },
      {
        "type": "I/SigI",
        "value": 17.710
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 11.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.260,2.200],
      "number_observations": 47856,
      "number_observations_unique": 4161,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.097
        },
        {
          "type": "I/SigI",
          "value": 2.880
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.5
        }
      ]
    },
    {
      "resolution_limits": [2.320,2.260],
      "number_observations": 46990,
      "number_observations_unique": 4084,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 3.590
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.390,2.320],
      "number_observations": 45554,
      "number_observations_unique": 3953,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 4.440
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.460,2.390],
      "number_observations": 44470,
      "number_observations_unique": 3853,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 5.030
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.540,2.460],
      "number_observations": 42755,
      "number_observations_unique": 3703,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 6.030
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.630,2.540],
      "number_observations": 41704,
      "number_observations_unique": 3608,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 7.590
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.730,2.630],
      "number_observations": 40269,
      "number_observations_unique": 3484,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 9.000
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.840,2.730],
      "number_observations": 38594,
      "number_observations_unique": 3329,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 11.300
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.970,2.840],
      "number_observations": 36930,
      "number_observations_unique": 3191,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 13.890
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.110,2.970],
      "number_observations": 35714,
      "number_observations_unique": 3085,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 17.230
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.280,3.110],
      "number_observations": 33883,
      "number_observations_unique": 2927,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 22.000
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.480,3.280],
      "number_observations": 31996,
      "number_observations_unique": 2775,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 26.480
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.720,3.480],
      "number_observations": 29829,
      "number_observations_unique": 2588,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 31.400
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.020,3.720],
      "number_observations": 27819,
      "number_observations_unique": 2420,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 35.460
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.400,4.020],
      "number_observations": 25530,
      "number_observations_unique": 2232,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 40.000
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.920,4.400],
      "number_observations": 23191,
      "number_observations_unique": 2027,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 43.130
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [5.680,4.920],
      "number_observations": 20377,
      "number_observations_unique": 1790,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 42.820
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [6.960,5.680],
      "number_observations": 17190,
      "number_observations_unique": 1517,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 44.020
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [9.840,6.960],
      "number_observations": 13156,
      "number_observations_unique": 1175,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 51.940
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [49.9100,9.840],
      "number_observations": 6885,
      "number_observations_unique": 654,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 54.410
        },
        {
          "type": "Completeness",
          "value": 99.100
        }
      ]
    }
  ]

}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):


Binned data generated from MXLIMS-JSON (via JavaScript):