Data quality metrics extracted from 4kuv.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": "faa3a3bce8a8eed862936d02961b9163",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 42.323,
    "b": 41.359,
    "c": 72.194,
    "alpha": 90.0,
    "beta": 104.3,
    "gamma": 90.0
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [71.3815,1.190],
    "number_observations_unique": 55094,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.059
      },
      {
        "type": "I/SigI",
        "value": 20.420
      },
      {
        "type": "Completeness",
        "value": 71.400
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.270,1.190],
      "number_observations": 4424,
      "number_observations_unique": 1685,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.507
        },
        {
          "type": "I/SigI",
          "value": 2.260
        },
        {
          "type": "Completeness",
          "value": 13.600
        }
      ]
    },
    {
      "resolution_limits": [1.350,1.270],
      "number_observations": 19468,
      "number_observations_unique": 4328,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.377
        },
        {
          "type": "I/SigI",
          "value": 4.930
        },
        {
          "type": "Completeness",
          "value": 37.100
        }
      ]
    },
    {
      "resolution_limits": [1.460,1.350],
      "number_observations": 46303,
      "number_observations_unique": 8348,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.270
        },
        {
          "type": "I/SigI",
          "value": 8.300
        },
        {
          "type": "Completeness",
          "value": 76.500
        }
      ]
    },
    {
      "resolution_limits": [1.600,1.460],
      "number_observations": 65217,
      "number_observations_unique": 9459,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.168
        },
        {
          "type": "I/SigI",
          "value": 13.540
        },
        {
          "type": "Completeness",
          "value": 94.500
        }
      ]
    },
    {
      "resolution_limits": [1.790,1.600],
      "number_observations": 60225,
      "number_observations_unique": 8658,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.103
        },
        {
          "type": "I/SigI",
          "value": 18.670
        },
        {
          "type": "Completeness",
          "value": 95.500
        }
      ]
    },
    {
      "resolution_limits": [2.060,1.790],
      "number_observations": 52729,
      "number_observations_unique": 7775,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "I/SigI",
          "value": 25.860
        },
        {
          "type": "Completeness",
          "value": 96.700
        }
      ]
    },
    {
      "resolution_limits": [2.530,2.060],
      "number_observations": 44411,
      "number_observations_unique": 6626,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "I/SigI",
          "value": 32.520
        },
        {
          "type": "Completeness",
          "value": 97.500
        }
      ]
    },
    {
      "resolution_limits": [3.570,2.530],
      "number_observations": 35101,
      "number_observations_unique": 5230,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
        },
        {
          "type": "I/SigI",
          "value": 38.240
        },
        {
          "type": "Completeness",
          "value": 98.500
        }
      ]
    },
    {
      "resolution_limits": [71.3815,3.570],
      "number_observations": 19269,
      "number_observations_unique": 2985,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "I/SigI",
          "value": 41.710
        },
        {
          "type": "Completeness",
          "value": 98.900
        }
      ]
    }
  ]

}
  

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


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