Data quality metrics extracted from 3r9j.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": "011aafb8588feb33dbf8a4b44bed8940",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 94.393,
    "b": 94.393,
    "c": 284.979,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,4.30],
    "number_observations_unique": 9437,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.108
      },
      {
        "type": "I/SigI",
        "value": 15.3547
      },
      {
        "type": "Completeness",
        "value": 99.94
      },
      {
        "type": "Redundancy",
        "value": 12.84
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [4.53,4.30],
      "number_observations": 16272,
      "number_observations_unique": 1312,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.52
        },
        {
          "type": "I/SigI",
          "value": 5.49
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 12.40
        }
      ]
    },
    {
      "resolution_limits": [4.81,4.53],
      "number_observations": 17477,
      "number_observations_unique": 1270,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.40
        },
        {
          "type": "I/SigI",
          "value": 7.21
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 13.76
        }
      ]
    },
    {
      "resolution_limits": [5.14,4.81],
      "number_observations": 16489,
      "number_observations_unique": 1205,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.33
        },
        {
          "type": "I/SigI",
          "value": 8.34
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 13.68
        }
      ]
    },
    {
      "resolution_limits": [5.55,5.14],
      "number_observations": 15174,
      "number_observations_unique": 1123,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.28
        },
        {
          "type": "I/SigI",
          "value": 9.27
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 13.51
        }
      ]
    },
    {
      "resolution_limits": [6.08,5.55],
      "number_observations": 13449,
      "number_observations_unique": 1027,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.26
        },
        {
          "type": "I/SigI",
          "value": 9.68
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 13.10
        }
      ]
    },
    {
      "resolution_limits": [6.80,6.08],
      "number_observations": 12029,
      "number_observations_unique": 956,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.15
        },
        {
          "type": "I/SigI",
          "value": 14.98
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 12.58
        }
      ]
    },
    {
      "resolution_limits": [7.85,6.80],
      "number_observations": 9977,
      "number_observations_unique": 850,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.09
        },
        {
          "type": "I/SigI",
          "value": 21.14
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 11.74
        }
      ]
    },
    {
      "resolution_limits": [9.62,7.85],
      "number_observations": 8740,
      "number_observations_unique": 737,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.05
        },
        {
          "type": "I/SigI",
          "value": 33.85
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 11.86
        }
      ]
    },
    {
      "resolution_limits": [13.60,9.62],
      "number_observations": 7576,
      "number_observations_unique": 593,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.04
        },
        {
          "type": "I/SigI",
          "value": 44.55
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 12.78
        }
      ]
    },
    {
      "resolution_limits": [50.00,13.60],
      "number_observations": 3960,
      "number_observations_unique": 364,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.05
        },
        {
          "type": "I/SigI",
          "value": 39.89
        },
        {
          "type": "Completeness",
          "value": 98.22
        },
        {
          "type": "Redundancy",
          "value": 10.88
        }
      ]
    }
  ]

}
  

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


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