Data quality metrics extracted from 4dyz.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": "a2c8d7dea18e901e935260f70dca31e7",
  "space_group_name": "F 4 3 2",
  "unit_cell": {
    "a": 181.066,
    "b": 181.066,
    "c": 181.066,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [104.538,2.300],
    "number_observations_unique": 11848,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.097
      },
      {
        "type": "I/SigI",
        "value": 36.100
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 42.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.420,2.300],
      "number_observations": 72134,
      "number_observations_unique": 1680,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.397
        },
        {
          "type": "I/SigI",
          "value": 1.900
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 42.900
        }
      ]
    },
    {
      "resolution_limits": [2.570,2.420],
      "number_observations": 68207,
      "number_observations_unique": 1586,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.289
        },
        {
          "type": "I/SigI",
          "value": 2.600
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 43.000
        }
      ]
    },
    {
      "resolution_limits": [2.750,2.570],
      "number_observations": 64826,
      "number_observations_unique": 1509,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.219
        },
        {
          "type": "I/SigI",
          "value": 3.400
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 43.000
        }
      ]
    },
    {
      "resolution_limits": [2.970,2.750],
      "number_observations": 60087,
      "number_observations_unique": 1403,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.157
        },
        {
          "type": "I/SigI",
          "value": 4.700
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 42.800
        }
      ]
    },
    {
      "resolution_limits": [3.250,2.970],
      "number_observations": 55562,
      "number_observations_unique": 1304,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.109
        },
        {
          "type": "I/SigI",
          "value": 6.600
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 42.600
        }
      ]
    },
    {
      "resolution_limits": [3.640,3.250],
      "number_observations": 50379,
      "number_observations_unique": 1191,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.082
        },
        {
          "type": "I/SigI",
          "value": 8.300
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 42.300
        }
      ]
    },
    {
      "resolution_limits": [4.200,3.640],
      "number_observations": 44439,
      "number_observations_unique": 1064,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "I/SigI",
          "value": 10.000
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 41.800
        }
      ]
    },
    {
      "resolution_limits": [5.140,4.200],
      "number_observations": 37452,
      "number_observations_unique": 914,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.058
        },
        {
          "type": "I/SigI",
          "value": 11.300
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 41.000
        }
      ]
    },
    {
      "resolution_limits": [7.270,5.140],
      "number_observations": 28978,
      "number_observations_unique": 733,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        },
        {
          "type": "I/SigI",
          "value": 10.900
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 39.500
        }
      ]
    },
    {
      "resolution_limits": [90.533,7.270],
      "number_observations": 15792,
      "number_observations_unique": 464,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "I/SigI",
          "value": 14.300
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 34.000
        }
      ]
    }
  ]

}
  

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


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