Data quality metrics extracted from 4f7w.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": "a0aeb356712984132d6b8fab3e7b1fb8",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 127.837,
    "b": 130.825,
    "c": 192.150,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97931],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.00,2.10],
    "number_observations_unique": 187511,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.148
      },
      {
        "type": "I/SigI",
        "value": 13.6649
      },
      {
        "type": "Completeness",
        "value": 99.95
      },
      {
        "type": "Redundancy",
        "value": 7.08
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.21,2.10],
      "number_observations": 181294,
      "number_observations_unique": 27124,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.90
        },
        {
          "type": "Completeness",
          "value": 99.91
        },
        {
          "type": "Redundancy",
          "value": 6.68
        }
      ]
    },
    {
      "resolution_limits": [2.35,2.21],
      "number_observations": 175365,
      "number_observations_unique": 25722,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.64
        },
        {
          "type": "Completeness",
          "value": 99.94
        },
        {
          "type": "Redundancy",
          "value": 6.82
        }
      ]
    },
    {
      "resolution_limits": [2.51,2.35],
      "number_observations": 168633,
      "number_observations_unique": 24164,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.48
        },
        {
          "type": "Completeness",
          "value": 99.95
        },
        {
          "type": "Redundancy",
          "value": 6.98
        }
      ]
    },
    {
      "resolution_limits": [2.71,2.51],
      "number_observations": 160564,
      "number_observations_unique": 22559,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.33
        },
        {
          "type": "Completeness",
          "value": 99.98
        },
        {
          "type": "Redundancy",
          "value": 7.12
        }
      ]
    },
    {
      "resolution_limits": [2.97,2.71],
      "number_observations": 150684,
      "number_observations_unique": 20779,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.21
        },
        {
          "type": "Completeness",
          "value": 99.97
        },
        {
          "type": "Redundancy",
          "value": 7.25
        }
      ]
    },
    {
      "resolution_limits": [3.32,2.97],
      "number_observations": 138908,
      "number_observations_unique": 18861,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.13
        },
        {
          "type": "Completeness",
          "value": 99.99
        },
        {
          "type": "Redundancy",
          "value": 7.36
        }
      ]
    },
    {
      "resolution_limits": [3.83,3.32],
      "number_observations": 123145,
      "number_observations_unique": 16721,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.08
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 7.36
        }
      ]
    },
    {
      "resolution_limits": [4.70,3.83],
      "number_observations": 103182,
      "number_observations_unique": 14196,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.05
        },
        {
          "type": "Completeness",
          "value": 99.99
        },
        {
          "type": "Redundancy",
          "value": 7.27
        }
      ]
    },
    {
      "resolution_limits": [6.64,4.70],
      "number_observations": 81853,
      "number_observations_unique": 11097,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.05
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 7.38
        }
      ]
    },
    {
      "resolution_limits": [40.00,6.64],
      "number_observations": 44020,
      "number_observations_unique": 6296,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.04
        },
        {
          "type": "Completeness",
          "value": 99.45
        },
        {
          "type": "Redundancy",
          "value": 6.99
        }
      ]
    }
  ]

}
  

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


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