Data quality metrics extracted from 8cfr.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": "9f21d9d6675e581826ecfa7d34d2de7b",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 91.208,
    "b": 101.490,
    "c": 110.704,
    "alpha": 90.00,
    "beta": 114.42,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.77,1.89],
    "number_observations_unique": 144704,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.121
      },
      {
        "type": "R(meas)",
        "value": 0.138
      },
      {
        "type": "I/SigI",
        "value": 7.74
      },
      {
        "type": "Completeness",
        "value": 99.1
      },
      {
        "type": "Redundancy",
        "value": 4.45
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.01,1.89],
      "number_observations_unique": 22935,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.256
        },
        {
          "type": "R(meas)",
          "value": 1.419
        },
        {
          "type": "CC(1/2)",
          "value": 0.696
        }
      ]
    },
    {
      "resolution_limits": [2.15,2.01],
      "number_observations_unique": 22038,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.76
        },
        {
          "type": "R(meas)",
          "value": 0.863
        },
        {
          "type": "CC(1/2)",
          "value": 0.84
        }
      ]
    },
    {
      "resolution_limits": [2.32,2.15],
      "number_observations_unique": 20513,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.467
        },
        {
          "type": "R(meas)",
          "value": 0.5329999999999999
        },
        {
          "type": "CC(1/2)",
          "value": 0.9329999999999999
        }
      ]
    },
    {
      "resolution_limits": [2.54,2.32],
      "number_observations_unique": 18916,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.292
        },
        {
          "type": "R(meas)",
          "value": 0.33299999999999996
        },
        {
          "type": "CC(1/2)",
          "value": 0.972
        }
      ]
    },
    {
      "resolution_limits": [2.84,2.54],
      "number_observations_unique": 17114,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.18899999999999997
        },
        {
          "type": "R(meas)",
          "value": 0.213
        },
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    },
    {
      "resolution_limits": [3.28,2.84],
      "number_observations_unique": 15064,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.12
        },
        {
          "type": "R(meas)",
          "value": 0.13699999999999998
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [4.01,3.28],
      "number_observations_unique": 12625,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.07
        },
        {
          "type": "R(meas)",
          "value": 0.081
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [5.65,4.01],
      "number_observations_unique": 9919,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.05
        },
        {
          "type": "R(meas)",
          "value": 0.057
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [47.77,1.89],
      "number_observations_unique": 5580,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.04
        },
        {
          "type": "R(meas)",
          "value": 0.045
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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