Data quality metrics extracted from 4k0b.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": "51cef3c56b5c74d0d3a27bbd32f3961c",
  "space_group_name": "P 65 2 2",
  "unit_cell": {
    "a": 150.981,
    "b": 150.981,
    "c": 222.549,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97872],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.930],
    "number_observations_unique": 215744,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.165
      },
      {
        "type": "R(meas)",
        "value": 0.175
      },
      {
        "type": "I/SigI",
        "value": 8.660
      },
      {
        "type": "Completeness",
        "value": 99.400
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.050,1.930],
      "number_observations": 120290,
      "number_observations_unique": 33698,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.689
        },
        {
          "type": "R(meas)",
          "value": 4.297
        },
        {
          "type": "I/SigI",
          "value": 0.290
        },
        {
          "type": "Completeness",
          "value": 96.100
        }
      ]
    },
    {
      "resolution_limits": [2.190,2.050],
      "number_observations": 192266,
      "number_observations_unique": 32965,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.143
        },
        {
          "type": "R(meas)",
          "value": 2.355
        },
        {
          "type": "I/SigI",
          "value": 0.730
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.360,2.190],
      "number_observations": 298409,
      "number_observations_unique": 30692,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.270
        },
        {
          "type": "R(meas)",
          "value": 1.341
        },
        {
          "type": "I/SigI",
          "value": 1.800
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.590,2.360],
      "number_observations": 312696,
      "number_observations_unique": 28272,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.728
        },
        {
          "type": "R(meas)",
          "value": 0.763
        },
        {
          "type": "I/SigI",
          "value": 3.470
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.890,2.590],
      "number_observations": 283513,
      "number_observations_unique": 25556,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.379
        },
        {
          "type": "R(meas)",
          "value": 0.398
        },
        {
          "type": "I/SigI",
          "value": 6.590
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.340,2.890],
      "number_observations": 250125,
      "number_observations_unique": 22546,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.182
        },
        {
          "type": "R(meas)",
          "value": 0.191
        },
        {
          "type": "I/SigI",
          "value": 13.070
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.080,3.340],
      "number_observations": 208863,
      "number_observations_unique": 19035,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.099
        },
        {
          "type": "R(meas)",
          "value": 0.103
        },
        {
          "type": "I/SigI",
          "value": 23.590
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [5.750,4.080],
      "number_observations": 161126,
      "number_observations_unique": 14776,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.070
        },
        {
          "type": "R(meas)",
          "value": 0.074
        },
        {
          "type": "I/SigI",
          "value": 32.080
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [50,5.750],
      "number_observations": 89347,
      "number_observations_unique": 8204,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.053
        },
        {
          "type": "R(meas)",
          "value": 0.056
        },
        {
          "type": "I/SigI",
          "value": 35.850
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    }
  ]

}
  

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


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