Data quality metrics extracted from 8s47.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": "c7563060ad0643509f0c2b43578ab20e",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 44.22,
    "b": 65.07,
    "c": 130.33,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97625],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.04,2.11],
    "number_observations_unique": 41718,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.10800000000000001
      },
      {
        "type": "R(meas)",
        "value": 0.11699999999999999
      },
      {
        "type": "I/SigI",
        "value": 10.08
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 7.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.9990000000000001
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.21,2.11],
      "number_observations_unique": 5394,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.6510000000000002
        },
        {
          "type": "R(meas)",
          "value": 2.861
        },
        {
          "type": "CC(1/2)",
          "value": 0.5
        }
      ]
    },
    {
      "resolution_limits": [2.31,2.21],
      "number_observations_unique": 4522,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.5759999999999998
        },
        {
          "type": "R(meas)",
          "value": 1.699
        },
        {
          "type": "CC(1/2)",
          "value": 0.713
        }
      ]
    },
    {
      "resolution_limits": [2.51,2.31],
      "number_observations_unique": 6982,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.968
        },
        {
          "type": "R(meas)",
          "value": 1.044
        },
        {
          "type": "CC(1/2)",
          "value": 0.883
        }
      ]
    },
    {
      "resolution_limits": [8.0,2.51],
      "number_observations_unique": 24059,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.086
        },
        {
          "type": "R(meas)",
          "value": 0.092
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [14.0,8.00],
      "number_observations_unique": 625,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.039
        },
        {
          "type": "R(meas)",
          "value": 0.040999999999999995
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [17.0,14.00],
      "number_observations_unique": 62,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.039
        },
        {
          "type": "R(meas)",
          "value": 0.042
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [50.0,17.00],
      "number_observations_unique": 74,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040999999999999995
        },
        {
          "type": "R(meas)",
          "value": 0.044000000000000004
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    }
  ]

}
  

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


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