Data quality metrics extracted from 4fu3.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": "e48dbc1e24fff1b333b4ded536b349f6",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 57.752,
    "b": 79.784,
    "c": 108.666,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91790],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.78,1.90],
    "number_observations_unique": 20170,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.070
      },
      {
        "type": "I/SigI",
        "value": 19.6638
      },
      {
        "type": "Completeness",
        "value": 99.95
      },
      {
        "type": "Redundancy",
        "value": 7.19
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.00,1.90],
      "number_observations": 20438,
      "number_observations_unique": 2875,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.98
        },
        {
          "type": "Completeness",
          "value": 99.96
        },
        {
          "type": "Redundancy",
          "value": 7.11
        }
      ]
    },
    {
      "resolution_limits": [2.12,2.00],
      "number_observations": 20050,
      "number_observations_unique": 2785,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.53
        },
        {
          "type": "Completeness",
          "value": 99.98
        },
        {
          "type": "Redundancy",
          "value": 7.20
        }
      ]
    },
    {
      "resolution_limits": [2.27,2.12],
      "number_observations": 18736,
      "number_observations_unique": 2570,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.31
        },
        {
          "type": "Completeness",
          "value": 99.98
        },
        {
          "type": "Redundancy",
          "value": 7.29
        }
      ]
    },
    {
      "resolution_limits": [2.45,2.27],
      "number_observations": 17782,
      "number_observations_unique": 2427,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.19
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 7.33
        }
      ]
    },
    {
      "resolution_limits": [2.69,2.45],
      "number_observations": 16295,
      "number_observations_unique": 2223,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.12
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 7.33
        }
      ]
    },
    {
      "resolution_limits": [3.00,2.69],
      "number_observations": 14881,
      "number_observations_unique": 2032,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.07
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 7.32
        }
      ]
    },
    {
      "resolution_limits": [3.47,3.00],
      "number_observations": 13089,
      "number_observations_unique": 1797,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.04
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 7.28
        }
      ]
    },
    {
      "resolution_limits": [4.25,3.47],
      "number_observations": 11079,
      "number_observations_unique": 1544,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 7.18
        }
      ]
    },
    {
      "resolution_limits": [6.01,4.25],
      "number_observations": 8432,
      "number_observations_unique": 1217,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 6.93
        }
      ]
    },
    {
      "resolution_limits": [46.78,6.01],
      "number_observations": 4163,
      "number_observations_unique": 700,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "Completeness",
          "value": 98.82
        },
        {
          "type": "Redundancy",
          "value": 5.95
        }
      ]
    }
  ]

}
  

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


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