Data quality metrics extracted from 8cfl.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": "510f8206faf0f30ccee687a7ec693398",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 178.45,
    "b": 104.83,
    "c": 107.59,
    "alpha": 90.00,
    "beta": 99.44,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.5,1.73],
    "number_observations_unique": 203188,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.124
      },
      {
        "type": "R(meas)",
        "value": 0.141
      },
      {
        "type": "I/SigI",
        "value": 9.09
      },
      {
        "type": "Completeness",
        "value": 99.3
      },
      {
        "type": "Redundancy",
        "value": 4.55
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.83,1.73],
      "number_observations_unique": 31977,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.168
        },
        {
          "type": "R(meas)",
          "value": 2.448
        },
        {
          "type": "CC(1/2)",
          "value": 0.435
        }
      ]
    },
    {
      "resolution_limits": [1.96,1.83],
      "number_observations_unique": 30979,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.296
        },
        {
          "type": "R(meas)",
          "value": 1.462
        },
        {
          "type": "CC(1/2)",
          "value": 0.675
        }
      ]
    },
    {
      "resolution_limits": [2.11,1.96],
      "number_observations_unique": 28825,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.708
        },
        {
          "type": "R(meas)",
          "value": 0.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.8540000000000001
        }
      ]
    },
    {
      "resolution_limits": [2.32,2.11],
      "number_observations_unique": 26474,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.384
        },
        {
          "type": "R(meas)",
          "value": 0.43799999999999994
        },
        {
          "type": "CC(1/2)",
          "value": 0.941
        }
      ]
    },
    {
      "resolution_limits": [2.59,2.32],
      "number_observations_unique": 24070,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.22399999999999998
        },
        {
          "type": "R(meas)",
          "value": 0.255
        },
        {
          "type": "CC(1/2)",
          "value": 0.9740000000000001
        }
      ]
    },
    {
      "resolution_limits": [2.99,2.59],
      "number_observations_unique": 21195,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.127
        },
        {
          "type": "R(meas)",
          "value": 0.14300000000000002
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [3.65,2.99],
      "number_observations_unique": 17929,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.067
        },
        {
          "type": "R(meas)",
          "value": 0.077
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [5.15,3.65],
      "number_observations_unique": 13930,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.037000000000000005
        },
        {
          "type": "R(meas)",
          "value": 0.043
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [47.5,5.15],
      "number_observations_unique": 7809,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "R(meas)",
          "value": 0.034
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    }
  ]

}
  

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


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