Data quality metrics extracted from 3fkj.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": "78bcaf2f43b5fa7a504ac7e15e73d21d",
  "space_group_name": "P 65",
  "unit_cell": {
    "a": 63.88,
    "b": 63.88,
    "c": 295.93,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.90496,0.97858,0.97824],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.323,2.12],
    "number_observations_unique": 38085,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.054
      },
      {
        "type": "I/SigI",
        "value": 12.910
      },
      {
        "type": "Completeness",
        "value": 91.200
      },
      {
        "type": "Redundancy",
        "value": 5.62
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.20,2.12],
      "number_observations": 13214,
      "number_observations_unique": 6352,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.411
        },
        {
          "type": "I/SigI",
          "value": 1.95
        },
        {
          "type": "Completeness",
          "value": 78.20
        }
      ]
    },
    {
      "resolution_limits": [2.28,2.20],
      "number_observations": 15066,
      "number_observations_unique": 5982,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.314
        },
        {
          "type": "I/SigI",
          "value": 2.9
        },
        {
          "type": "Completeness",
          "value": 85.80
        }
      ]
    },
    {
      "resolution_limits": [2.39,2.28],
      "number_observations": 20557,
      "number_observations_unique": 7289,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.258
        },
        {
          "type": "I/SigI",
          "value": 4.0
        },
        {
          "type": "Completeness",
          "value": 90.70
        }
      ]
    },
    {
      "resolution_limits": [2.51,2.39],
      "number_observations": 19452,
      "number_observations_unique": 6722,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.198
        },
        {
          "type": "I/SigI",
          "value": 5.2
        },
        {
          "type": "Completeness",
          "value": 91.60
        }
      ]
    },
    {
      "resolution_limits": [2.67,2.51],
      "number_observations": 21326,
      "number_observations_unique": 7263,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.140
        },
        {
          "type": "I/SigI",
          "value": 7.3
        },
        {
          "type": "Completeness",
          "value": 92.50
        }
      ]
    },
    {
      "resolution_limits": [2.88,2.67],
      "number_observations": 22167,
      "number_observations_unique": 7254,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.112
        },
        {
          "type": "I/SigI",
          "value": 9.5
        },
        {
          "type": "Completeness",
          "value": 93.10
        }
      ]
    },
    {
      "resolution_limits": [3.16,2.88],
      "number_observations": 21976,
      "number_observations_unique": 7030,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.078
        },
        {
          "type": "I/SigI",
          "value": 13.6
        },
        {
          "type": "Completeness",
          "value": 94.30
        }
      ]
    },
    {
      "resolution_limits": [3.62,3.16],
      "number_observations": 24062,
      "number_observations_unique": 7365,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "I/SigI",
          "value": 19.5
        },
        {
          "type": "Completeness",
          "value": 95.00
        }
      ]
    },
    {
      "resolution_limits": [4.55,3.62],
      "number_observations": 26316,
      "number_observations_unique": 7387,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "I/SigI",
          "value": 27.7
        },
        {
          "type": "Completeness",
          "value": 96.00
        }
      ]
    },
    {
      "resolution_limits": [29.323,4.55],
      "number_observations": 29726,
      "number_observations_unique": 7470,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.029
        },
        {
          "type": "I/SigI",
          "value": 32.8
        },
        {
          "type": "Completeness",
          "value": 95.30
        }
      ]
    }
  ]

}
  

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


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