Data quality metrics extracted from 4ky8.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": "8779dd0a7450db11e4125afa04304660",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 214.162,
    "b": 115.665,
    "c": 218.767,
    "alpha": 90.00,
    "beta": 94.36,
    "gamma": 90.00
  },
  "wavelengths": [1.10000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.12,3.08],
    "number_observations_unique": 70173,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.207
      },
      {
        "type": "I/SigI",
        "value": 4.1
      },
      {
        "type": "Completeness",
        "value": 71.600
      },
      {
        "type": "Redundancy",
        "value": 3.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.150,3.100],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 11.300
        },
        {
          "type": "Redundancy",
          "value": 1.300
        }
      ]
    },
    {
      "resolution_limits": [3.210,3.150],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 15.600
        },
        {
          "type": "Redundancy",
          "value": 1.500
        }
      ]
    },
    {
      "resolution_limits": [3.270,3.210],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 21.600
        },
        {
          "type": "Redundancy",
          "value": 1.700
        }
      ]
    },
    {
      "resolution_limits": [3.340,3.270],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 28.300
        },
        {
          "type": "Redundancy",
          "value": 2.000
        }
      ]
    },
    {
      "resolution_limits": [3.410,3.340],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 35.300
        },
        {
          "type": "Redundancy",
          "value": 2.100
        }
      ]
    },
    {
      "resolution_limits": [3.490,3.410],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 44.800
        },
        {
          "type": "Redundancy",
          "value": 2.200
        }
      ]
    },
    {
      "resolution_limits": [3.580,3.490],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 53.300
        },
        {
          "type": "Redundancy",
          "value": 2.300
        }
      ]
    },
    {
      "resolution_limits": [3.680,3.580],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 61.600
        },
        {
          "type": "Redundancy",
          "value": 2.400
        }
      ]
    },
    {
      "resolution_limits": [3.780,3.680],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 72.300
        },
        {
          "type": "Redundancy",
          "value": 2.500
        }
      ]
    },
    {
      "resolution_limits": [3.910,3.780],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 89.600
        },
        {
          "type": "Redundancy",
          "value": 2.700
        }
      ]
    },
    {
      "resolution_limits": [4.040,3.910],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.100
        },
        {
          "type": "Redundancy",
          "value": 3.000
        }
      ]
    },
    {
      "resolution_limits": [4.210,4.040],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 3.100
        }
      ]
    },
    {
      "resolution_limits": [4.400,4.210],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 3.300
        }
      ]
    },
    {
      "resolution_limits": [4.630,4.400],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.400
        }
      ]
    },
    {
      "resolution_limits": [4.920,4.630],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.300
        }
      ]
    },
    {
      "resolution_limits": [5.300,4.920],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 3.500
        }
      ]
    },
    {
      "resolution_limits": [5.830,5.300],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.300
        }
      ]
    },
    {
      "resolution_limits": [6.670,5.830],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.500
        }
      ]
    },
    {
      "resolution_limits": [8.400,6.670],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.400
        }
      ]
    },
    {
      "resolution_limits": [50.000,8.400],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 3.300
        }
      ]
    }
  ]

}
  

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


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