Data quality metrics extracted from 8inw.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": "a98040a476d73447b6ec3daafe8ca052",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 45.627,
    "b": 64.033,
    "c": 105.140,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.95374],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [27.79,2.4],
    "number_observations_unique": 12572,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.21899999999999997
      },
      {
        "type": "R(meas)",
        "value": 0.22699999999999998
      },
      {
        "type": "I/SigI",
        "value": 9.87
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 13.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.55,2.40],
      "number_observations_unique": 1970,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.888
        },
        {
          "type": "R(meas)",
          "value": 0.9229999999999999
        },
        {
          "type": "CC(1/2)",
          "value": 0.8290000000000001
        }
      ]
    },
    {
      "resolution_limits": [2.72,2.55],
      "number_observations_unique": 1863,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.693
        },
        {
          "type": "R(meas)",
          "value": 0.722
        },
        {
          "type": "CC(1/2)",
          "value": 0.9109999999999999
        }
      ]
    },
    {
      "resolution_limits": [2.94,2.72],
      "number_observations_unique": 1741,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.508
        },
        {
          "type": "R(meas)",
          "value": 0.529
        },
        {
          "type": "CC(1/2)",
          "value": 0.927
        }
      ]
    },
    {
      "resolution_limits": [3.21,2.94],
      "number_observations_unique": 1601,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.336
        },
        {
          "type": "R(meas)",
          "value": 0.348
        },
        {
          "type": "CC(1/2)",
          "value": 0.9740000000000001
        }
      ]
    },
    {
      "resolution_limits": [3.59,3.21],
      "number_observations_unique": 1483,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.217
        },
        {
          "type": "R(meas)",
          "value": 0.225
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [4.13,3.59],
      "number_observations_unique": 1314,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.14800000000000002
        },
        {
          "type": "R(meas)",
          "value": 0.154
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [5.03,4.13],
      "number_observations_unique": 1122,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.111
        },
        {
          "type": "R(meas)",
          "value": 0.11599999999999999
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [7.0,5.03],
      "number_observations_unique": 902,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.128
        },
        {
          "type": "R(meas)",
          "value": 0.134
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [27.79,7.00],
      "number_observations_unique": 576,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.077
        },
        {
          "type": "R(meas)",
          "value": 0.08
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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