Data quality metrics extracted from 8c4n.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": "ab28e70cb7d7cf9ea7dbfa67d1b6c811",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 41.61,
    "b": 64.72,
    "c": 129.92,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97702],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,1.75],
    "number_observations_unique": 68334,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05
      },
      {
        "type": "R(meas)",
        "value": 0.054000000000000006
      },
      {
        "type": "I/SigI",
        "value": 14.13
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 8
      },
      {
        "type": "CC(1/2)",
        "value": 0.9990000000000001
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.8,1.75],
      "number_observations_unique": 6024,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.8930000000000002
        },
        {
          "type": "R(meas)",
          "value": 3.125
        },
        {
          "type": "CC(1/2)",
          "value": 0.5760000000000001
        }
      ]
    },
    {
      "resolution_limits": [1.86,1.80],
      "number_observations_unique": 5354,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.966
        },
        {
          "type": "R(meas)",
          "value": 2.133
        },
        {
          "type": "CC(1/2)",
          "value": 0.705
        }
      ]
    },
    {
      "resolution_limits": [1.97,1.86],
      "number_observations_unique": 9042,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.2109999999999999
        },
        {
          "type": "R(meas)",
          "value": 1.31
        },
        {
          "type": "CC(1/2)",
          "value": 0.855
        }
      ]
    },
    {
      "resolution_limits": [8.0,1.97],
      "number_observations_unique": 47197,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "R(meas)",
          "value": 0.049
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [14.0,8.00],
      "number_observations_unique": 585,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.027999999999999997
        },
        {
          "type": "R(meas)",
          "value": 0.031
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [17.0,14.00],
      "number_observations_unique": 60,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.026000000000000002
        },
        {
          "type": "R(meas)",
          "value": 0.028999999999999998
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [50.0,17.00],
      "number_observations_unique": 72,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.033
        },
        {
          "type": "R(meas)",
          "value": 0.037000000000000005
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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