Data quality metrics extracted from 8c4o.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": "14cfa423f35e78b4ddcf8c4d099bd0bd",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 42.50,
    "b": 64.65,
    "c": 129.39,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97702],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,1.97],
    "number_observations_unique": 26034,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.111
      },
      {
        "type": "R(meas)",
        "value": 0.115
      },
      {
        "type": "I/SigI",
        "value": 12.78
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 8
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.03,1.97],
      "number_observations_unique": 2045,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.7669999999999995
        },
        {
          "type": "R(meas)",
          "value": 4.9239999999999995
        },
        {
          "type": "CC(1/2)",
          "value": 0.44799999999999995
        }
      ]
    },
    {
      "resolution_limits": [2.08,2.03],
      "number_observations_unique": 1788,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.6260000000000003
        },
        {
          "type": "R(meas)",
          "value": 3.747
        },
        {
          "type": "CC(1/2)",
          "value": 0.639
        }
      ]
    },
    {
      "resolution_limits": [2.19,2.08],
      "number_observations_unique": 3118,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.274
        },
        {
          "type": "R(meas)",
          "value": 2.35
        },
        {
          "type": "CC(1/2)",
          "value": 0.8320000000000001
        }
      ]
    },
    {
      "resolution_limits": [8.0,2.19],
      "number_observations_unique": 18615,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.10300000000000001
        },
        {
          "type": "R(meas)",
          "value": 0.107
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [14.0,8.00],
      "number_observations_unique": 368,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054000000000000006
        },
        {
          "type": "R(meas)",
          "value": 0.055999999999999994
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [17.0,14.00],
      "number_observations_unique": 40,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.052000000000000005
        },
        {
          "type": "R(meas)",
          "value": 0.054000000000000006
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [50.0,17.00],
      "number_observations_unique": 60,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055
        },
        {
          "type": "R(meas)",
          "value": 0.06
        },
        {
          "type": "CC(1/2)",
          "value": 0.9890000000000001
        }
      ]
    }
  ]

}
  

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


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