Data quality metrics extracted from 4z66.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": "c9bd97afda65795de7e6c405d7da59a8",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 105.73,
    "b": 109.63,
    "c": 181.11,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.870,2.500],
    "number_observations": 348947,
    "number_observations_unique": 69124,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.096
      },
      {
        "type": "I/SigI",
        "value": 6.900
      },
      {
        "type": "Completeness",
        "value": 94.000
      },
      {
        "type": "Redundancy",
        "value": 4.950
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.590,2.500],
      "number_observations": 40781,
      "number_observations_unique": 7250,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.412
        },
        {
          "type": "I/SigI",
          "value": 2.600
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 5.590
        }
      ]
    },
    {
      "resolution_limits": [2.690,2.590],
      "number_observations": 40403,
      "number_observations_unique": 7221,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.343
        },
        {
          "type": "I/SigI",
          "value": 3.100
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 5.510
        }
      ]
    },
    {
      "resolution_limits": [2.820,2.690],
      "number_observations": 41008,
      "number_observations_unique": 7279,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.293
        },
        {
          "type": "I/SigI",
          "value": 3.600
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 5.590
        }
      ]
    },
    {
      "resolution_limits": [2.960,2.820],
      "number_observations": 40304,
      "number_observations_unique": 7259,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.235
        },
        {
          "type": "I/SigI",
          "value": 4.300
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 5.490
        }
      ]
    },
    {
      "resolution_limits": [3.150,2.960],
      "number_observations": 40495,
      "number_observations_unique": 7268,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.184
        },
        {
          "type": "I/SigI",
          "value": 5.500
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 5.480
        }
      ]
    },
    {
      "resolution_limits": [3.390,3.150],
      "number_observations": 36503,
      "number_observations_unique": 7132,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.122
        },
        {
          "type": "I/SigI",
          "value": 7.900
        },
        {
          "type": "Completeness",
          "value": 97.500
        },
        {
          "type": "Redundancy",
          "value": 5.020
        }
      ]
    },
    {
      "resolution_limits": [3.730,3.390],
      "number_observations": 34479,
      "number_observations_unique": 6973,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.114
        },
        {
          "type": "I/SigI",
          "value": 8.800
        },
        {
          "type": "Completeness",
          "value": 95.000
        },
        {
          "type": "Redundancy",
          "value": 4.810
        }
      ]
    },
    {
      "resolution_limits": [4.270,3.730],
      "number_observations": 28800,
      "number_observations_unique": 6509,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.081
        },
        {
          "type": "I/SigI",
          "value": 11.400
        },
        {
          "type": "Completeness",
          "value": 88.200
        },
        {
          "type": "Redundancy",
          "value": 4.310
        }
      ]
    },
    {
      "resolution_limits": [5.380,4.270],
      "number_observations": 21791,
      "number_observations_unique": 5785,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "I/SigI",
          "value": 13.500
        },
        {
          "type": "Completeness",
          "value": 77.700
        },
        {
          "type": "Redundancy",
          "value": 3.700
        }
      ]
    },
    {
      "resolution_limits": [42.870,5.380],
      "number_observations": 24383,
      "number_observations_unique": 6448,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        },
        {
          "type": "I/SigI",
          "value": 17.900
        },
        {
          "type": "Completeness",
          "value": 83.500
        },
        {
          "type": "Redundancy",
          "value": 3.470
        }
      ]
    }
  ]

}
  

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


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