Data quality metrics extracted from 4px8.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": "e25c3151b1123ebc39834cd706eeac8b",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 57.267,
    "b": 31.297,
    "c": 50.899,
    "alpha": 90.00,
    "beta": 112.18,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [15.71,1.250],
    "number_observations_unique": 23296,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.050
      },
      {
        "type": "I/SigI",
        "value": 19.300
      },
      {
        "type": "Completeness",
        "value": 99.700
      },
      {
        "type": "Redundancy",
        "value": 7.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.300,1.250],
      "number_observations": 18073,
      "number_observations_unique": 2593,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.585
        },
        {
          "type": "I/SigI",
          "value": 3.250
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.97
        }
      ]
    },
    {
      "resolution_limits": [1.400,1.300],
      "number_observations": 29240,
      "number_observations_unique": 4047,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.411
        },
        {
          "type": "I/SigI",
          "value": 4.700
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 7.23
        }
      ]
    },
    {
      "resolution_limits": [1.500,1.400],
      "number_observations": 22555,
      "number_observations_unique": 3100,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.236
        },
        {
          "type": "I/SigI",
          "value": 7.800
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 7.28
        }
      ]
    },
    {
      "resolution_limits": [3.800,1.500],
      "number_observations": 92981,
      "number_observations_unique": 12700,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "I/SigI",
          "value": 28.110
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 7.32
        }
      ]
    },
    {
      "resolution_limits": [4.000,3.800],
      "number_observations": 897,
      "number_observations_unique": 124,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.032
        },
        {
          "type": "I/SigI",
          "value": 49.380
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.23
        }
      ]
    },
    {
      "resolution_limits": [5.000,4.000],
      "number_observations": 2555,
      "number_observations_unique": 359,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.028
        },
        {
          "type": "I/SigI",
          "value": 48.950
        },
        {
          "type": "Completeness",
          "value": 98.900
        },
        {
          "type": "Redundancy",
          "value": 7.12
        }
      ]
    },
    {
      "resolution_limits": [6.000,5.000],
      "number_observations": 1098,
      "number_observations_unique": 156,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.028
        },
        {
          "type": "I/SigI",
          "value": 47.020
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 7.04
        }
      ]
    },
    {
      "resolution_limits": [8.000,6.000],
      "number_observations": 961,
      "number_observations_unique": 137,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.027
        },
        {
          "type": "I/SigI",
          "value": 47.240
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 7.01
        }
      ]
    },
    {
      "resolution_limits": [10.000,8.000],
      "number_observations": 305,
      "number_observations_unique": 47,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.026
        },
        {
          "type": "I/SigI",
          "value": 45.790
        },
        {
          "type": "Completeness",
          "value": 95.900
        },
        {
          "type": "Redundancy",
          "value": 6.49
        }
      ]
    },
    {
      "resolution_limits": [13.000,10.000],
      "number_observations": 97,
      "number_observations_unique": 22,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.021
        },
        {
          "type": "I/SigI",
          "value": 36.410
        },
        {
          "type": "Completeness",
          "value": 81.500
        },
        {
          "type": "Redundancy",
          "value": 4.41
        }
      ]
    },
    {
      "resolution_limits": [15.71,13.000],
      "number_observations": 60,
      "number_observations_unique": 11,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.022
        },
        {
          "type": "I/SigI",
          "value": 42.410
        },
        {
          "type": "Completeness",
          "value": 39.300
        },
        {
          "type": "Redundancy",
          "value": 5.45
        }
      ]
    }
  ]

}
  

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


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