Data quality metrics extracted from 4fk7.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": "d4c24952010c5958871a6d01e0495995",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 31.986,
    "b": 71.832,
    "c": 98.628,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35.92,1.78],
    "number_observations_unique": 21982,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.024
      },
      {
        "type": "I/SigI",
        "value": 60.2374
      },
      {
        "type": "Completeness",
        "value": 97.41
      },
      {
        "type": "Redundancy",
        "value": 7.05
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.88,1.78],
      "number_observations": 21308,
      "number_observations_unique": 3003,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.07
        },
        {
          "type": "Completeness",
          "value": 92.74
        },
        {
          "type": "Redundancy",
          "value": 7.10
        }
      ]
    },
    {
      "resolution_limits": [1.99,1.88],
      "number_observations": 21055,
      "number_observations_unique": 2947,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.05
        },
        {
          "type": "Completeness",
          "value": 96.48
        },
        {
          "type": "Redundancy",
          "value": 7.14
        }
      ]
    },
    {
      "resolution_limits": [2.13,1.99],
      "number_observations": 20060,
      "number_observations_unique": 2803,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.04
        },
        {
          "type": "Completeness",
          "value": 97.03
        },
        {
          "type": "Redundancy",
          "value": 7.16
        }
      ]
    },
    {
      "resolution_limits": [2.30,2.13],
      "number_observations": 18892,
      "number_observations_unique": 2638,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "Completeness",
          "value": 97.92
        },
        {
          "type": "Redundancy",
          "value": 7.16
        }
      ]
    },
    {
      "resolution_limits": [2.52,2.30],
      "number_observations": 17417,
      "number_observations_unique": 2435,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "Completeness",
          "value": 98.63
        },
        {
          "type": "Redundancy",
          "value": 7.15
        }
      ]
    },
    {
      "resolution_limits": [2.81,2.52],
      "number_observations": 16068,
      "number_observations_unique": 2254,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.02
        },
        {
          "type": "Completeness",
          "value": 99.05
        },
        {
          "type": "Redundancy",
          "value": 7.13
        }
      ]
    },
    {
      "resolution_limits": [3.25,2.81],
      "number_observations": 14139,
      "number_observations_unique": 1997,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.02
        },
        {
          "type": "Completeness",
          "value": 99.10
        },
        {
          "type": "Redundancy",
          "value": 7.08
        }
      ]
    },
    {
      "resolution_limits": [3.98,3.25],
      "number_observations": 12041,
      "number_observations_unique": 1735,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.02
        },
        {
          "type": "Completeness",
          "value": 99.68
        },
        {
          "type": "Redundancy",
          "value": 6.94
        }
      ]
    },
    {
      "resolution_limits": [5.63,3.98],
      "number_observations": 9107,
      "number_observations_unique": 1355,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.02
        },
        {
          "type": "Completeness",
          "value": 99.71
        },
        {
          "type": "Redundancy",
          "value": 6.72
        }
      ]
    },
    {
      "resolution_limits": [35.92,5.63],
      "number_observations": 4993,
      "number_observations_unique": 815,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.02
        },
        {
          "type": "Completeness",
          "value": 98.97
        },
        {
          "type": "Redundancy",
          "value": 6.13
        }
      ]
    }
  ]

}
  

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


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