Data quality metrics extracted from 4fxx.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": "5cd4dddf9265e018b4272a70376611c5",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 96.03,
    "b": 37.97,
    "c": 144.68,
    "alpha": 90.00,
    "beta": 107.38,
    "gamma": 90.00
  },
  "wavelengths": [0.97940],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.00,2.48],
    "number_observations_unique": 16211,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.108
      },
      {
        "type": "I/SigI",
        "value": 10.5645
      },
      {
        "type": "Completeness",
        "value": 89.19
      },
      {
        "type": "Redundancy",
        "value": 5.08
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.61,2.48],
      "number_observations": 10355,
      "number_observations_unique": 1959,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.37
        },
        {
          "type": "Completeness",
          "value": 75.39
        },
        {
          "type": "Redundancy",
          "value": 5.29
        }
      ]
    },
    {
      "resolution_limits": [2.77,2.61],
      "number_observations": 9958,
      "number_observations_unique": 1929,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.26
        },
        {
          "type": "Completeness",
          "value": 77.33
        },
        {
          "type": "Redundancy",
          "value": 5.16
        }
      ]
    },
    {
      "resolution_limits": [2.96,2.77],
      "number_observations": 9425,
      "number_observations_unique": 1935,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.20
        },
        {
          "type": "Completeness",
          "value": 82.99
        },
        {
          "type": "Redundancy",
          "value": 4.87
        }
      ]
    },
    {
      "resolution_limits": [3.20,2.96],
      "number_observations": 9115,
      "number_observations_unique": 1949,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.16
        },
        {
          "type": "Completeness",
          "value": 88.46
        },
        {
          "type": "Redundancy",
          "value": 4.68
        }
      ]
    },
    {
      "resolution_limits": [3.51,3.20],
      "number_observations": 8881,
      "number_observations_unique": 1919,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.14
        },
        {
          "type": "Completeness",
          "value": 96.56
        },
        {
          "type": "Redundancy",
          "value": 4.63
        }
      ]
    },
    {
      "resolution_limits": [3.92,3.51],
      "number_observations": 9193,
      "number_observations_unique": 1838,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.11
        },
        {
          "type": "Completeness",
          "value": 99.83
        },
        {
          "type": "Redundancy",
          "value": 5.00
        }
      ]
    },
    {
      "resolution_limits": [4.53,3.92],
      "number_observations": 8731,
      "number_observations_unique": 1598,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.09
        },
        {
          "type": "Completeness",
          "value": 99.97
        },
        {
          "type": "Redundancy",
          "value": 5.46
        }
      ]
    },
    {
      "resolution_limits": [5.55,4.53],
      "number_observations": 7676,
      "number_observations_unique": 1385,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.09
        },
        {
          "type": "Completeness",
          "value": 99.96
        },
        {
          "type": "Redundancy",
          "value": 5.54
        }
      ]
    },
    {
      "resolution_limits": [7.84,5.55],
      "number_observations": 5918,
      "number_observations_unique": 1083,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.08
        },
        {
          "type": "Completeness",
          "value": 99.95
        },
        {
          "type": "Redundancy",
          "value": 5.46
        }
      ]
    },
    {
      "resolution_limits": [48.00,7.84],
      "number_observations": 3158,
      "number_observations_unique": 616,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.08
        },
        {
          "type": "Completeness",
          "value": 97.59
        },
        {
          "type": "Redundancy",
          "value": 5.13
        }
      ]
    }
  ]

}
  

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


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