Data quality metrics extracted from 8cfj.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": "7015ce0fcdbd1eb67a0b8af5bdfd4198",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 74.11,
    "b": 132.72,
    "c": 99.03,
    "alpha": 90.00,
    "beta": 101.41,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.47,1.64],
    "number_observations_unique": 222867,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.106
      },
      {
        "type": "R(meas)",
        "value": 0.12
      },
      {
        "type": "I/SigI",
        "value": 9.81
      },
      {
        "type": "Completeness",
        "value": 97.2
      },
      {
        "type": "Redundancy",
        "value": 4.69
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.74,1.64],
      "number_observations_unique": 35144,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.868
        },
        {
          "type": "R(meas)",
          "value": 2.114
        },
        {
          "type": "CC(1/2)",
          "value": 0.345
        }
      ]
    },
    {
      "resolution_limits": [1.86,1.74],
      "number_observations_unique": 33528,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.207
        },
        {
          "type": "R(meas)",
          "value": 1.351
        },
        {
          "type": "CC(1/2)",
          "value": 0.584
        }
      ]
    },
    {
      "resolution_limits": [2.01,1.86],
      "number_observations_unique": 31362,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.654
        },
        {
          "type": "R(meas)",
          "value": 0.733
        },
        {
          "type": "CC(1/2)",
          "value": 0.8170000000000001
        }
      ]
    },
    {
      "resolution_limits": [2.2,2.01],
      "number_observations_unique": 29005,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.35100000000000003
        },
        {
          "type": "R(meas)",
          "value": 0.396
        },
        {
          "type": "CC(1/2)",
          "value": 0.9279999999999999
        }
      ]
    },
    {
      "resolution_limits": [2.46,2.20],
      "number_observations_unique": 26365,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.196
        },
        {
          "type": "R(meas)",
          "value": 0.222
        },
        {
          "type": "CC(1/2)",
          "value": 0.9740000000000001
        }
      ]
    },
    {
      "resolution_limits": [2.83,2.46],
      "number_observations_unique": 23404,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.113
        },
        {
          "type": "R(meas)",
          "value": 0.127
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [3.46,2.83],
      "number_observations_unique": 19863,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.061
        },
        {
          "type": "R(meas)",
          "value": 0.068
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [4.88,3.46],
      "number_observations_unique": 15478,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.032
        },
        {
          "type": "R(meas)",
          "value": 0.037000000000000005
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [36.47,4.88],
      "number_observations_unique": 8718,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.026000000000000002
        },
        {
          "type": "R(meas)",
          "value": 0.028999999999999998
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    }
  ]

}
  

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


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