Data quality metrics extracted from 30jk.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "fd91ff1fa6fab97d0908eb893dba657e",
  "space_group_name": "P 42 21 2",
  "unit_cell": {
    "a": 168.42,
    "b": 168.42,
    "c": 126.31,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97625],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.14,2.08],
    "number_observations_unique": 106646,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.476
      },
      {
        "type": "R(meas)",
        "value": 0.488
      },
      {
        "type": "I/SigI",
        "value": 6.49
      },
      {
        "type": "Completeness",
        "value": 97.6
      },
      {
        "type": "Redundancy",
        "value": 20.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.13,2.08],
      "number_observations_unique": 6747,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.292
        },
        {
          "type": "R(meas)",
          "value": 2.482
        },
        {
          "type": "CC(1/2)",
          "value": 0.103
        }
      ]
    },
    {
      "resolution_limits": [2.19,2.13],
      "number_observations_unique": 7101,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.427
        },
        {
          "type": "R(meas)",
          "value": 2.59
        },
        {
          "type": "CC(1/2)",
          "value": 0.1
        }
      ]
    },
    {
      "resolution_limits": [2.26,2.19],
      "number_observations_unique": 7274,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.436
        },
        {
          "type": "R(meas)",
          "value": 2.571
        },
        {
          "type": "CC(1/2)",
          "value": 0.146
        }
      ]
    },
    {
      "resolution_limits": [2.33,2.26],
      "number_observations_unique": 7298,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.525
        },
        {
          "type": "R(meas)",
          "value": 2.64
        },
        {
          "type": "CC(1/2)",
          "value": 0.117
        }
      ]
    },
    {
      "resolution_limits": [2.4,2.33],
      "number_observations_unique": 7138,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.586
        },
        {
          "type": "R(meas)",
          "value": 2.679
        },
        {
          "type": "CC(1/2)",
          "value": 0.155
        }
      ]
    },
    {
      "resolution_limits": [2.49,2.40],
      "number_observations_unique": 6925,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.807
        },
        {
          "type": "R(meas)",
          "value": 2.885
        },
        {
          "type": "CC(1/2)",
          "value": 0.213
        }
      ]
    },
    {
      "resolution_limits": [2.58,2.49],
      "number_observations_unique": 6671,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.797
        },
        {
          "type": "R(meas)",
          "value": 2.854
        },
        {
          "type": "CC(1/2)",
          "value": 0.332
        }
      ]
    },
    {
      "resolution_limits": [2.69,2.58],
      "number_observations_unique": 6430,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.744
        },
        {
          "type": "R(meas)",
          "value": 2.795
        },
        {
          "type": "CC(1/2)",
          "value": 0.435
        }
      ]
    },
    {
      "resolution_limits": [2.8,2.69],
      "number_observations_unique": 6201,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.231
        },
        {
          "type": "R(meas)",
          "value": 2.273
        },
        {
          "type": "CC(1/2)",
          "value": 0.588
        }
      ]
    },
    {
      "resolution_limits": [2.94,2.80],
      "number_observations_unique": 5895,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.701
        },
        {
          "type": "R(meas)",
          "value": 1.734
        },
        {
          "type": "CC(1/2)",
          "value": 0.695
        }
      ]
    },
    {
      "resolution_limits": [3.1,2.94],
      "number_observations_unique": 5664,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.235
        },
        {
          "type": "R(meas)",
          "value": 1.258
        },
        {
          "type": "CC(1/2)",
          "value": 0.82
        }
      ]
    },
    {
      "resolution_limits": [3.29,3.10],
      "number_observations_unique": 5333,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.808
        },
        {
          "type": "R(meas)",
          "value": 0.823
        },
        {
          "type": "CC(1/2)",
          "value": 0.932
        }
      ]
    },
    {
      "resolution_limits": [3.52,3.29],
      "number_observations_unique": 5051,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.558
        },
        {
          "type": "R(meas)",
          "value": 0.569
        },
        {
          "type": "CC(1/2)",
          "value": 0.969
        }
      ]
    },
    {
      "resolution_limits": [3.8,3.52],
      "number_observations_unique": 4659,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.377
        },
        {
          "type": "R(meas)",
          "value": 0.384
        },
        {
          "type": "CC(1/2)",
          "value": 0.989
        }
      ]
    },
    {
      "resolution_limits": [4.16,3.80],
      "number_observations_unique": 4320,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.26
        },
        {
          "type": "R(meas)",
          "value": 0.265
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [4.65,4.16],
      "number_observations_unique": 3882,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.17
        },
        {
          "type": "R(meas)",
          "value": 0.174
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [5.37,4.65],
      "number_observations_unique": 3435,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.145
        },
        {
          "type": "R(meas)",
          "value": 0.148
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [6.58,5.37],
      "number_observations_unique": 2944,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.134
        },
        {
          "type": "R(meas)",
          "value": 0.137
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [9.3,6.58],
      "number_observations_unique": 2327,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.088
        },
        {
          "type": "R(meas)",
          "value": 0.09
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [49.14,9.30],
      "number_observations_unique": 1351,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "R(meas)",
          "value": 0.068
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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