Data quality metrics extracted from 3ka9.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": "ad39c661b38b5c44e1fcb8aadbc198f4",
  "space_group_name": "F 4 3 2",
  "unit_cell": {
    "a": 183.452,
    "b": 183.452,
    "c": 183.452,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.11590],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,1.45],
    "number_observations_unique": 47219,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.088
      },
      {
        "type": "I/SigI",
        "value": 25.300
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 15.600
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.53,1.45],
      "number_observations": 102510,
      "number_observations_unique": 6773,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.798
        },
        {
          "type": "I/SigI",
          "value": 1.0
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 15.10
        }
      ]
    },
    {
      "resolution_limits": [1.62,1.53],
      "number_observations": 99059,
      "number_observations_unique": 6394,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.526
        },
        {
          "type": "I/SigI",
          "value": 1.5
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 15.50
        }
      ]
    },
    {
      "resolution_limits": [1.73,1.62],
      "number_observations": 95625,
      "number_observations_unique": 6043,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.362
        },
        {
          "type": "I/SigI",
          "value": 2.1
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 15.80
        }
      ]
    },
    {
      "resolution_limits": [1.87,1.73],
      "number_observations": 90351,
      "number_observations_unique": 5649,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.234
        },
        {
          "type": "I/SigI",
          "value": 3.3
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 16.00
        }
      ]
    },
    {
      "resolution_limits": [2.05,1.87],
      "number_observations": 83628,
      "number_observations_unique": 5214,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.145
        },
        {
          "type": "I/SigI",
          "value": 5.3
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 16.00
        }
      ]
    },
    {
      "resolution_limits": [2.29,2.05],
      "number_observations": 75974,
      "number_observations_unique": 4765,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.088
        },
        {
          "type": "I/SigI",
          "value": 8.5
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 15.90
        }
      ]
    },
    {
      "resolution_limits": [2.65,2.29],
      "number_observations": 66477,
      "number_observations_unique": 4218,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.074
        },
        {
          "type": "I/SigI",
          "value": 9.3
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 15.80
        }
      ]
    },
    {
      "resolution_limits": [3.24,2.65],
      "number_observations": 54087,
      "number_observations_unique": 3611,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        },
        {
          "type": "I/SigI",
          "value": 13.9
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 15.00
        }
      ]
    },
    {
      "resolution_limits": [4.59,3.24],
      "number_observations": 44517,
      "number_observations_unique": 2842,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.032
        },
        {
          "type": "I/SigI",
          "value": 19.3
        },
        {
          "type": "Completeness",
          "value": 99.60
        },
        {
          "type": "Redundancy",
          "value": 15.70
        }
      ]
    },
    {
      "resolution_limits": [50.0,4.59],
      "number_observations": 25288,
      "number_observations_unique": 1710,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.030
        },
        {
          "type": "I/SigI",
          "value": 13.5
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 14.80
        }
      ]
    }
  ]

}
  

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


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