Data quality metrics extracted from 3q8c.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": "f01eba64518b28a9dbcf43c5da23d37e",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 72.674,
    "b": 94.053,
    "c": 117.236,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35.00,2.85],
    "number_observations_unique": 19416,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.090
      },
      {
        "type": "I/SigI",
        "value": 16.4916
      },
      {
        "type": "Completeness",
        "value": 99.93
      },
      {
        "type": "Redundancy",
        "value": 6.61
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.00,2.85],
      "number_observations": 18639,
      "number_observations_unique": 2793,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.75
        },
        {
          "type": "I/SigI",
          "value": 2.69
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 6.67
        }
      ]
    },
    {
      "resolution_limits": [3.19,3.00],
      "number_observations": 18260,
      "number_observations_unique": 2616,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.45
        },
        {
          "type": "I/SigI",
          "value": 4.36
        },
        {
          "type": "Completeness",
          "value": 99.96
        },
        {
          "type": "Redundancy",
          "value": 6.98
        }
      ]
    },
    {
      "resolution_limits": [3.41,3.19],
      "number_observations": 17433,
      "number_observations_unique": 2504,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.24
        },
        {
          "type": "I/SigI",
          "value": 7.89
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 6.96
        }
      ]
    },
    {
      "resolution_limits": [3.68,3.41],
      "number_observations": 15704,
      "number_observations_unique": 2322,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.14
        },
        {
          "type": "I/SigI",
          "value": 12.48
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 6.76
        }
      ]
    },
    {
      "resolution_limits": [4.03,3.68],
      "number_observations": 13462,
      "number_observations_unique": 2144,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.10
        },
        {
          "type": "I/SigI",
          "value": 16.72
        },
        {
          "type": "Completeness",
          "value": 99.98
        },
        {
          "type": "Redundancy",
          "value": 6.28
        }
      ]
    },
    {
      "resolution_limits": [4.51,4.03],
      "number_observations": 12329,
      "number_observations_unique": 1946,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.06
        },
        {
          "type": "I/SigI",
          "value": 24.37
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 6.34
        }
      ]
    },
    {
      "resolution_limits": [5.20,4.51],
      "number_observations": 11732,
      "number_observations_unique": 1745,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.05
        },
        {
          "type": "I/SigI",
          "value": 30.17
        },
        {
          "type": "Completeness",
          "value": 99.97
        },
        {
          "type": "Redundancy",
          "value": 6.72
        }
      ]
    },
    {
      "resolution_limits": [6.37,5.20],
      "number_observations": 9637,
      "number_observations_unique": 1468,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.05
        },
        {
          "type": "I/SigI",
          "value": 29.51
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 6.56
        }
      ]
    },
    {
      "resolution_limits": [9.01,6.37],
      "number_observations": 7060,
      "number_observations_unique": 1187,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.04
        },
        {
          "type": "I/SigI",
          "value": 33.54
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 5.95
        }
      ]
    },
    {
      "resolution_limits": [35.00,9.01],
      "number_observations": 4110,
      "number_observations_unique": 691,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "I/SigI",
          "value": 48.45
        },
        {
          "type": "Completeness",
          "value": 98.28
        },
        {
          "type": "Redundancy",
          "value": 5.95
        }
      ]
    }
  ]

}
  

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


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