Data quality metrics extracted from 3q8f.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": "b338a75268a8d9d807b5c0190e0100fc",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 73.292,
    "b": 93.657,
    "c": 115.565,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.38,2.10],
    "number_observations_unique": 46290,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.056
      },
      {
        "type": "I/SigI",
        "value": 20.2927
      },
      {
        "type": "Completeness",
        "value": 98.41
      },
      {
        "type": "Redundancy",
        "value": 7.43
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.21,2.10],
      "number_observations": 49947,
      "number_observations_unique": 6641,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.75
        },
        {
          "type": "I/SigI",
          "value": 2.96
        },
        {
          "type": "Completeness",
          "value": 98.10
        },
        {
          "type": "Redundancy",
          "value": 7.52
        }
      ]
    },
    {
      "resolution_limits": [2.35,2.21],
      "number_observations": 47195,
      "number_observations_unique": 6311,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.56
        },
        {
          "type": "I/SigI",
          "value": 4.27
        },
        {
          "type": "Completeness",
          "value": 98.29
        },
        {
          "type": "Redundancy",
          "value": 7.48
        }
      ]
    },
    {
      "resolution_limits": [2.51,2.35],
      "number_observations": 44791,
      "number_observations_unique": 5958,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.33
        },
        {
          "type": "I/SigI",
          "value": 6.26
        },
        {
          "type": "Completeness",
          "value": 98.59
        },
        {
          "type": "Redundancy",
          "value": 7.52
        }
      ]
    },
    {
      "resolution_limits": [2.71,2.51],
      "number_observations": 41871,
      "number_observations_unique": 5583,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.21
        },
        {
          "type": "I/SigI",
          "value": 9.41
        },
        {
          "type": "Completeness",
          "value": 98.75
        },
        {
          "type": "Redundancy",
          "value": 7.50
        }
      ]
    },
    {
      "resolution_limits": [2.97,2.71],
      "number_observations": 38588,
      "number_observations_unique": 5145,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.11
        },
        {
          "type": "I/SigI",
          "value": 14.25
        },
        {
          "type": "Completeness",
          "value": 98.88
        },
        {
          "type": "Redundancy",
          "value": 7.50
        }
      ]
    },
    {
      "resolution_limits": [3.32,2.97],
      "number_observations": 35054,
      "number_observations_unique": 4697,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.06
        },
        {
          "type": "I/SigI",
          "value": 23.53
        },
        {
          "type": "Completeness",
          "value": 99.12
        },
        {
          "type": "Redundancy",
          "value": 7.46
        }
      ]
    },
    {
      "resolution_limits": [3.83,3.32],
      "number_observations": 30814,
      "number_observations_unique": 4150,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.04
        },
        {
          "type": "I/SigI",
          "value": 41.19
        },
        {
          "type": "Completeness",
          "value": 99.20
        },
        {
          "type": "Redundancy",
          "value": 7.43
        }
      ]
    },
    {
      "resolution_limits": [4.70,3.83],
      "number_observations": 26228,
      "number_observations_unique": 3567,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "I/SigI",
          "value": 54.86
        },
        {
          "type": "Completeness",
          "value": 99.34
        },
        {
          "type": "Redundancy",
          "value": 7.35
        }
      ]
    },
    {
      "resolution_limits": [6.64,4.70],
      "number_observations": 20317,
      "number_observations_unique": 2809,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.02
        },
        {
          "type": "I/SigI",
          "value": 59.94
        },
        {
          "type": "Completeness",
          "value": 99.53
        },
        {
          "type": "Redundancy",
          "value": 7.23
        }
      ]
    },
    {
      "resolution_limits": [45.38,6.64],
      "number_observations": 9213,
      "number_observations_unique": 1429,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.02
        },
        {
          "type": "I/SigI",
          "value": 58.84
        },
        {
          "type": "Completeness",
          "value": 87.95
        },
        {
          "type": "Redundancy",
          "value": 6.45
        }
      ]
    }
  ]

}
  

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


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