Data quality metrics extracted from 4wpt.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": "92bacbdb90ef4af8fac4fde50e14e46b",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 103.574,
    "b": 122.813,
    "c": 64.556,
    "alpha": 90.00,
    "beta": 116.66,
    "gamma": 90.00
  },
  "wavelengths": [0.94967],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,1.130],
    "number_observations": 708883,
    "number_observations_unique": 365421,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.087
      },
      {
        "type": "I/SigI",
        "value": 6.200
      },
      {
        "type": "Completeness",
        "value": 68.800
      },
      {
        "type": "Redundancy",
        "value": 1.900
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.150,1.130],
      "number_observations_unique": 245,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.838
        },
        {
          "type": "Completeness",
          "value": 0.900
        },
        {
          "type": "Redundancy",
          "value": 1.100
        }
      ]
    },
    {
      "resolution_limits": [1.170,1.150],
      "number_observations_unique": 1492,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.717
        },
        {
          "type": "Completeness",
          "value": 5.600
        },
        {
          "type": "Redundancy",
          "value": 1.100
        }
      ]
    },
    {
      "resolution_limits": [1.190,1.170],
      "number_observations_unique": 4053,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.427
        },
        {
          "type": "Completeness",
          "value": 15.200
        },
        {
          "type": "Redundancy",
          "value": 1.200
        }
      ]
    },
    {
      "resolution_limits": [1.220,1.190],
      "number_observations_unique": 6668,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.313
        },
        {
          "type": "Completeness",
          "value": 25.100
        },
        {
          "type": "Redundancy",
          "value": 1.300
        }
      ]
    },
    {
      "resolution_limits": [1.240,1.220],
      "number_observations_unique": 9140,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.243
        },
        {
          "type": "Completeness",
          "value": 34.600
        },
        {
          "type": "Redundancy",
          "value": 1.300
        }
      ]
    },
    {
      "resolution_limits": [1.270,1.240],
      "number_observations_unique": 11461,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.285
        },
        {
          "type": "Completeness",
          "value": 43.100
        },
        {
          "type": "Redundancy",
          "value": 1.400
        }
      ]
    },
    {
      "resolution_limits": [1.300,1.270],
      "number_observations_unique": 14213,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.171
        },
        {
          "type": "Completeness",
          "value": 53.600
        },
        {
          "type": "Redundancy",
          "value": 1.500
        }
      ]
    },
    {
      "resolution_limits": [1.340,1.300],
      "number_observations_unique": 17391,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.119
        },
        {
          "type": "Completeness",
          "value": 65.400
        },
        {
          "type": "Redundancy",
          "value": 1.600
        }
      ]
    },
    {
      "resolution_limits": [1.380,1.340],
      "number_observations_unique": 20503,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.061
        },
        {
          "type": "Completeness",
          "value": 77.200
        },
        {
          "type": "Redundancy",
          "value": 1.700
        }
      ]
    },
    {
      "resolution_limits": [1.420,1.380],
      "number_observations_unique": 24892,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "Completeness",
          "value": 93.900
        },
        {
          "type": "Redundancy",
          "value": 2.000
        }
      ]
    },
    {
      "resolution_limits": [1.470,1.420],
      "number_observations_unique": 25602,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.400
        },
        {
          "type": "Redundancy",
          "value": 2.100
        }
      ]
    },
    {
      "resolution_limits": [1.530,1.470],
      "number_observations_unique": 25490,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.700
        },
        {
          "type": "Redundancy",
          "value": 2.000
        }
      ]
    },
    {
      "resolution_limits": [1.600,1.530],
      "number_observations_unique": 25885,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.800
        },
        {
          "type": "Redundancy",
          "value": 2.100
        }
      ]
    },
    {
      "resolution_limits": [1.690,1.600],
      "number_observations_unique": 26100,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.300
        },
        {
          "type": "Redundancy",
          "value": 2.100
        }
      ]
    },
    {
      "resolution_limits": [1.790,1.690],
      "number_observations_unique": 26248,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.900
        },
        {
          "type": "Redundancy",
          "value": 2.100
        }
      ]
    },
    {
      "resolution_limits": [1.930,1.790],
      "number_observations_unique": 25052,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94.400
        },
        {
          "type": "Redundancy",
          "value": 2.000
        }
      ]
    },
    {
      "resolution_limits": [2.130,1.930],
      "number_observations_unique": 24981,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 93.900
        },
        {
          "type": "Redundancy",
          "value": 2.000
        }
      ]
    },
    {
      "resolution_limits": [2.430,2.130],
      "number_observations_unique": 24845,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 93.600
        },
        {
          "type": "Redundancy",
          "value": 2.100
        }
      ]
    },
    {
      "resolution_limits": [3.070,2.430],
      "number_observations_unique": 26519,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 2.100
        }
      ]
    },
    {
      "resolution_limits": [50.000,3.070],
      "number_observations_unique": 24641,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 92.800
        },
        {
          "type": "Redundancy",
          "value": 2.100
        }
      ]
    }
  ]

}
  

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


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