Data quality metrics extracted from 8cfs.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": "cb34a9985fd4eb6ece930f4efa439c24",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 73.33,
    "b": 132.85,
    "c": 98.90,
    "alpha": 90.00,
    "beta": 101.08,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.53,1.64],
    "number_observations_unique": 225767,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.122
      },
      {
        "type": "R(meas)",
        "value": 0.138
      },
      {
        "type": "I/SigI",
        "value": 8.05
      },
      {
        "type": "Completeness",
        "value": 98.8
      },
      {
        "type": "Redundancy",
        "value": 4.54
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.73,1.64],
      "number_observations_unique": 35200,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.445
        },
        {
          "type": "R(meas)",
          "value": 1.6440000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.335
        }
      ]
    },
    {
      "resolution_limits": [1.85,1.73],
      "number_observations_unique": 34382,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.956
        },
        {
          "type": "R(meas)",
          "value": 1.073
        },
        {
          "type": "CC(1/2)",
          "value": 0.5770000000000001
        }
      ]
    },
    {
      "resolution_limits": [2.0,1.85],
      "number_observations_unique": 32130,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.541
        },
        {
          "type": "R(meas)",
          "value": 0.607
        },
        {
          "type": "CC(1/2)",
          "value": 0.8109999999999999
        }
      ]
    },
    {
      "resolution_limits": [2.19,2.00],
      "number_observations_unique": 29621,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.31
        },
        {
          "type": "R(meas)",
          "value": 0.35
        },
        {
          "type": "CC(1/2)",
          "value": 0.925
        }
      ]
    },
    {
      "resolution_limits": [2.45,2.19],
      "number_observations_unique": 26785,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.18600000000000003
        },
        {
          "type": "R(meas)",
          "value": 0.21100000000000002
        },
        {
          "type": "CC(1/2)",
          "value": 0.9690000000000001
        }
      ]
    },
    {
      "resolution_limits": [2.83,2.45],
      "number_observations_unique": 23650,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.121
        },
        {
          "type": "R(meas)",
          "value": 0.136
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [3.46,2.83],
      "number_observations_unique": 19954,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.075
        },
        {
          "type": "R(meas)",
          "value": 0.085
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [4.88,3.46],
      "number_observations_unique": 15430,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        },
        {
          "type": "R(meas)",
          "value": 0.055
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [48.53,4.88],
      "number_observations_unique": 8614,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "R(meas)",
          "value": 0.043
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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