Data quality metrics extracted from 8iaw.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": "7721fdbec48b81938ac299baa7a8b2dc",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 96.057,
    "b": 110.372,
    "c": 130.931,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.90000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.89],
    "number_observations_unique": 31733,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.171
      },
      {
        "type": "R(meas)",
        "value": 0.18899999999999997
      },
      {
        "type": "I/SigI",
        "value": 9.68
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 5.56
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.07,2.89],
      "number_observations_unique": 5045,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.01
        },
        {
          "type": "R(meas)",
          "value": 1.119
        },
        {
          "type": "CC(1/2)",
          "value": 0.8440000000000001
        }
      ]
    },
    {
      "resolution_limits": [3.28,3.07],
      "number_observations_unique": 4712,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.601
        },
        {
          "type": "R(meas)",
          "value": 0.672
        },
        {
          "type": "CC(1/2)",
          "value": 0.91
        }
      ]
    },
    {
      "resolution_limits": [3.54,3.28],
      "number_observations_unique": 4444,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.337
        },
        {
          "type": "R(meas)",
          "value": 0.375
        },
        {
          "type": "CC(1/2)",
          "value": 0.975
        }
      ]
    },
    {
      "resolution_limits": [3.88,3.54],
      "number_observations_unique": 4088,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.19699999999999998
        },
        {
          "type": "R(meas)",
          "value": 0.217
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [4.33,3.88],
      "number_observations_unique": 3717,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.11900000000000001
        },
        {
          "type": "R(meas)",
          "value": 0.131
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [4.99,4.33],
      "number_observations_unique": 3318,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.08199999999999999
        },
        {
          "type": "R(meas)",
          "value": 0.091
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [6.1,4.99],
      "number_observations_unique": 2837,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.09
        },
        {
          "type": "R(meas)",
          "value": 0.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [8.56,6.10],
      "number_observations_unique": 2241,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055999999999999994
        },
        {
          "type": "R(meas)",
          "value": 0.062
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [50,8.56],
      "number_observations_unique": 1331,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036000000000000004
        },
        {
          "type": "R(meas)",
          "value": 0.04
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    }
  ]

}
  

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


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