Data quality metrics extracted from 3kpu.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": "26c516b9e2fc99db36366d1af8bab4db",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 94.345,
    "b": 94.345,
    "c": 188.513,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35.030,2.400],
    "number_observations_unique": 31980,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.151
      },
      {
        "type": "I/SigI",
        "value": 5.300
      },
      {
        "type": "Completeness",
        "value": 93.800
      },
      {
        "type": "Redundancy",
        "value": 4.690
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.49,2.40],
      "number_observations": 9429,
      "number_observations_unique": 2968,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.436
        },
        {
          "type": "I/SigI",
          "value": 2.2
        },
        {
          "type": "Completeness",
          "value": 88.30
        },
        {
          "type": "Redundancy",
          "value": 3.17
        }
      ]
    },
    {
      "resolution_limits": [2.59,2.49],
      "number_observations": 12575,
      "number_observations_unique": 3164,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.401
        },
        {
          "type": "I/SigI",
          "value": 2.7
        },
        {
          "type": "Completeness",
          "value": 96.10
        },
        {
          "type": "Redundancy",
          "value": 3.96
        }
      ]
    },
    {
      "resolution_limits": [2.70,2.59],
      "number_observations": 18500,
      "number_observations_unique": 3374,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.373
        },
        {
          "type": "I/SigI",
          "value": 3.2
        },
        {
          "type": "Completeness",
          "value": 99.60
        },
        {
          "type": "Redundancy",
          "value": 5.44
        }
      ]
    },
    {
      "resolution_limits": [2.85,2.70],
      "number_observations": 22392,
      "number_observations_unique": 3339,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.326
        },
        {
          "type": "I/SigI",
          "value": 3.6
        },
        {
          "type": "Completeness",
          "value": 99.90
        },
        {
          "type": "Redundancy",
          "value": 6.70
        }
      ]
    },
    {
      "resolution_limits": [3.02,2.85],
      "number_observations": 22038,
      "number_observations_unique": 3368,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.256
        },
        {
          "type": "I/SigI",
          "value": 4.3
        },
        {
          "type": "Completeness",
          "value": 99.90
        },
        {
          "type": "Redundancy",
          "value": 6.53
        }
      ]
    },
    {
      "resolution_limits": [3.26,3.02],
      "number_observations": 21509,
      "number_observations_unique": 3392,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.197
        },
        {
          "type": "I/SigI",
          "value": 5.3
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 6.33
        }
      ]
    },
    {
      "resolution_limits": [3.58,3.26],
      "number_observations": 17533,
      "number_observations_unique": 3346,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.147
        },
        {
          "type": "I/SigI",
          "value": 6.4
        },
        {
          "type": "Completeness",
          "value": 99.00
        },
        {
          "type": "Redundancy",
          "value": 5.21
        }
      ]
    },
    {
      "resolution_limits": [4.10,3.58],
      "number_observations": 11333,
      "number_observations_unique": 3159,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.111
        },
        {
          "type": "I/SigI",
          "value": 7.8
        },
        {
          "type": "Completeness",
          "value": 91.60
        },
        {
          "type": "Redundancy",
          "value": 3.53
        }
      ]
    },
    {
      "resolution_limits": [5.17,4.10],
      "number_observations": 7577,
      "number_observations_unique": 2767,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.089
        },
        {
          "type": "I/SigI",
          "value": 8.7
        },
        {
          "type": "Completeness",
          "value": 80.10
        },
        {
          "type": "Redundancy",
          "value": 2.66
        }
      ]
    },
    {
      "resolution_limits": [35.03,5.17],
      "number_observations": 8248,
      "number_observations_unique": 3103,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        },
        {
          "type": "I/SigI",
          "value": 15.9
        },
        {
          "type": "Completeness",
          "value": 84.60
        },
        {
          "type": "Redundancy",
          "value": 2.55
        }
      ]
    }
  ]

}
  

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


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