Data quality metrics extracted from 8ikw.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": "42d4dca3862e92fd87618e23afdb2456",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 68.727,
    "b": 105.218,
    "c": 113.821,
    "alpha": 63.93,
    "beta": 89.12,
    "gamma": 86.27
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,1.93],
    "number_observations": 447435,
    "number_observations_unique": 202233,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.157
      },
      {
        "type": "I/SigI",
        "value": 6.0
      },
      {
        "type": "Completeness",
        "value": 85.6
      },
      {
        "type": "Redundancy",
        "value": 1.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.975
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.96,1.93],
      "number_observations_unique": 17955,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.603
        },
        {
          "type": "Completeness",
          "value": 85.8
        },
        {
          "type": "Redundancy",
          "value": 1.2
        }
      ]
    },
    {
      "resolution_limits": [2.00,1.96],
      "number_observations_unique": 17939,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.526
        },
        {
          "type": "Completeness",
          "value": 85.1
        },
        {
          "type": "Redundancy",
          "value": 1.2
        }
      ]
    },
    {
      "resolution_limits": [2.04,2.00],
      "number_observations_unique": 17675,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.463
        },
        {
          "type": "Completeness",
          "value": 84.7
        },
        {
          "type": "Redundancy",
          "value": 1.2
        }
      ]
    },
    {
      "resolution_limits": [2.08,2.04],
      "number_observations_unique": 17317,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.416
        },
        {
          "type": "Completeness",
          "value": 82.2
        },
        {
          "type": "Redundancy",
          "value": 1.2
        }
      ]
    },
    {
      "resolution_limits": [2.12,2.08],
      "number_observations_unique": 17412,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.364
        },
        {
          "type": "Completeness",
          "value": 82.3
        },
        {
          "type": "Redundancy",
          "value": 1.2
        }
      ]
    },
    {
      "resolution_limits": [2.17,2.12],
      "number_observations_unique": 18175,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.326
        },
        {
          "type": "Completeness",
          "value": 86.6
        },
        {
          "type": "Redundancy",
          "value": 1.2
        }
      ]
    },
    {
      "resolution_limits": [2.23,2.17],
      "number_observations_unique": 17690,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.287
        },
        {
          "type": "Completeness",
          "value": 84.7
        },
        {
          "type": "Redundancy",
          "value": 1.2
        }
      ]
    },
    {
      "resolution_limits": [2.29,2.23],
      "number_observations_unique": 17500,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.242
        },
        {
          "type": "Completeness",
          "value": 83.4
        },
        {
          "type": "Redundancy",
          "value": 1.2
        }
      ]
    },
    {
      "resolution_limits": [2.36,2.29],
      "number_observations_unique": 18561,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.224
        },
        {
          "type": "Completeness",
          "value": 88.4
        },
        {
          "type": "Redundancy",
          "value": 1.3
        }
      ]
    },
    {
      "resolution_limits": [2.43,2.36],
      "number_observations_unique": 18597,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.218
        },
        {
          "type": "Completeness",
          "value": 88.3
        },
        {
          "type": "Redundancy",
          "value": 1.3
        }
      ]
    },
    {
      "resolution_limits": [2.52,2.43],
      "number_observations_unique": 18513,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.192
        },
        {
          "type": "Completeness",
          "value": 87.7
        },
        {
          "type": "Redundancy",
          "value": 1.3
        }
      ]
    },
    {
      "resolution_limits": [2.62,2.52],
      "number_observations_unique": 18090,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.169
        },
        {
          "type": "Completeness",
          "value": 86.1
        },
        {
          "type": "Redundancy",
          "value": 1.2
        }
      ]
    },
    {
      "resolution_limits": [2.74,2.62],
      "number_observations_unique": 17844,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.151
        },
        {
          "type": "Completeness",
          "value": 85.2
        },
        {
          "type": "Redundancy",
          "value": 1.2
        }
      ]
    },
    {
      "resolution_limits": [2.88,2.74],
      "number_observations_unique": 18292,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.134
        },
        {
          "type": "Completeness",
          "value": 87.5
        },
        {
          "type": "Redundancy",
          "value": 1.3
        }
      ]
    },
    {
      "resolution_limits": [3.06,2.88],
      "number_observations_unique": 18064,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.120
        },
        {
          "type": "Completeness",
          "value": 85.9
        },
        {
          "type": "Redundancy",
          "value": 1.2
        }
      ]
    },
    {
      "resolution_limits": [3.30,3.06],
      "number_observations_unique": 18751,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.099
        },
        {
          "type": "Completeness",
          "value": 89.4
        },
        {
          "type": "Redundancy",
          "value": 1.3
        }
      ]
    },
    {
      "resolution_limits": [3.63,3.30],
      "number_observations_unique": 18236,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.086
        },
        {
          "type": "Completeness",
          "value": 86.7
        },
        {
          "type": "Redundancy",
          "value": 1.3
        }
      ]
    },
    {
      "resolution_limits": [4.16,3.63],
      "number_observations_unique": 17647,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.081
        },
        {
          "type": "Completeness",
          "value": 84.0
        },
        {
          "type": "Redundancy",
          "value": 1.2
        }
      ]
    },
    {
      "resolution_limits": [5.24,4.16],
      "number_observations_unique": 18011,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.084
        },
        {
          "type": "Completeness",
          "value": 85.6
        },
        {
          "type": "Redundancy",
          "value": 1.2
        }
      ]
    },
    {
      "resolution_limits": [50.00,5.24],
      "number_observations_unique": 17299,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.095
        },
        {
          "type": "Completeness",
          "value": 82.6
        },
        {
          "type": "Redundancy",
          "value": 1.2
        }
      ]
    }
  ]

}
  

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


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