Data quality metrics extracted from 3kqp.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": "2cbcf9f80c5d58ddca0afad4b13ec325",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 93.568,
    "b": 93.568,
    "c": 188.745,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.410,2.400],
    "number_observations_unique": 30322,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.138
      },
      {
        "type": "I/SigI",
        "value": 6.200
      },
      {
        "type": "Completeness",
        "value": 90.300
      },
      {
        "type": "Redundancy",
        "value": 4.990
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.49,2.40],
      "number_observations": 9578,
      "number_observations_unique": 2712,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.338
        },
        {
          "type": "I/SigI",
          "value": 2.9
        },
        {
          "type": "Completeness",
          "value": 82.90
        },
        {
          "type": "Redundancy",
          "value": 3.53
        }
      ]
    },
    {
      "resolution_limits": [2.59,2.49],
      "number_observations": 13103,
      "number_observations_unique": 3111,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.310
        },
        {
          "type": "I/SigI",
          "value": 3.4
        },
        {
          "type": "Completeness",
          "value": 94.40
        },
        {
          "type": "Redundancy",
          "value": 4.21
        }
      ]
    },
    {
      "resolution_limits": [2.70,2.59],
      "number_observations": 19148,
      "number_observations_unique": 3285,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.305
        },
        {
          "type": "I/SigI",
          "value": 3.8
        },
        {
          "type": "Completeness",
          "value": 99.40
        },
        {
          "type": "Redundancy",
          "value": 5.81
        }
      ]
    },
    {
      "resolution_limits": [2.85,2.70],
      "number_observations": 23049,
      "number_observations_unique": 3294,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.257
        },
        {
          "type": "I/SigI",
          "value": 4.8
        },
        {
          "type": "Completeness",
          "value": 99.70
        },
        {
          "type": "Redundancy",
          "value": 6.98
        }
      ]
    },
    {
      "resolution_limits": [3.02,2.85],
      "number_observations": 22984,
      "number_observations_unique": 3315,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.201
        },
        {
          "type": "I/SigI",
          "value": 5.9
        },
        {
          "type": "Completeness",
          "value": 99.50
        },
        {
          "type": "Redundancy",
          "value": 6.92
        }
      ]
    },
    {
      "resolution_limits": [3.26,3.02],
      "number_observations": 22448,
      "number_observations_unique": 3293,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.162
        },
        {
          "type": "I/SigI",
          "value": 7.0
        },
        {
          "type": "Completeness",
          "value": 99.50
        },
        {
          "type": "Redundancy",
          "value": 6.80
        }
      ]
    },
    {
      "resolution_limits": [3.58,3.26],
      "number_observations": 18002,
      "number_observations_unique": 3253,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.120
        },
        {
          "type": "I/SigI",
          "value": 8.4
        },
        {
          "type": "Completeness",
          "value": 96.90
        },
        {
          "type": "Redundancy",
          "value": 5.50
        }
      ]
    },
    {
      "resolution_limits": [4.10,3.58],
      "number_observations": 11525,
      "number_observations_unique": 3020,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.090
        },
        {
          "type": "I/SigI",
          "value": 9.1
        },
        {
          "type": "Completeness",
          "value": 89.30
        },
        {
          "type": "Redundancy",
          "value": 3.76
        }
      ]
    },
    {
      "resolution_limits": [5.17,4.10],
      "number_observations": 7206,
      "number_observations_unique": 2577,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.078
        },
        {
          "type": "I/SigI",
          "value": 10.3
        },
        {
          "type": "Completeness",
          "value": 75.40
        },
        {
          "type": "Redundancy",
          "value": 2.68
        }
      ]
    },
    {
      "resolution_limits": [45.41,5.17],
      "number_observations": 5425,
      "number_observations_unique": 2462,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.053
        },
        {
          "type": "I/SigI",
          "value": 13.2
        },
        {
          "type": "Completeness",
          "value": 68.00
        },
        {
          "type": "Redundancy",
          "value": 2.09
        }
      ]
    }
  ]

}
  

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


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