Data quality metrics extracted from 8aad.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": "0bf678832b6bc7e380f596633fb002f6",
  "space_group_name": "P 42 21 2",
  "unit_cell": {
    "a": 41.68,
    "b": 41.68,
    "c": 34.31,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97264],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.470,2.04],
    "number_observations_unique": 2137,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 25.99
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 22.8
      },
      {
        "type": "CC(1/2)",
        "value": 1.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.17,2.04],
      "number_observations_unique": 336,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 12.9
        },
        {
          "type": "Completeness",
          "value": 99.4
        },
        {
          "type": "Redundancy",
          "value": 23.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [2.32,2.17],
      "number_observations_unique": 312,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 16.38
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 23.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [2.50,2.32],
      "number_observations_unique": 288,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 20.26
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 24.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [2.74,2.50],
      "number_observations_unique": 270,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 26.88
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 24.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [3.06,2.74],
      "number_observations_unique": 247,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 30.5
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 21.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [3.52,3.06],
      "number_observations_unique": 227,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 36.01
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 22.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [4.30,3.52],
      "number_observations_unique": 198,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 37.03
        },
        {
          "type": "Completeness",
          "value": 99.5
        },
        {
          "type": "Redundancy",
          "value": 20.79
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [6.02,4.30],
      "number_observations_unique": 157,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 40.01
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 21.22
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [29.470,6.02],
      "number_observations_unique": 102,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 36.07
        },
        {
          "type": "Completeness",
          "value": 98.1
        },
        {
          "type": "Redundancy",
          "value": 17.33
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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