Data quality metrics extracted from 8z3f.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": "dc177ab288de85609d390c56aa961458",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 109.177,
    "b": 36.225,
    "c": 63.496,
    "alpha": 90.000,
    "beta": 98.869,
    "gamma": 90.000
  },
  "wavelengths": [0.97910],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,1.740],
    "number_observations_unique": 25075,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.126
      },
      {
        "type": "R(meas)",
        "value": 0.142
      },
      {
        "type": "R(pim)",
        "value": 0.063
      },
      {
        "type": "I/SigI",
        "value": 3.800
      },
      {
        "type": "Completeness",
        "value": 98.600
      },
      {
        "type": "Redundancy",
        "value": 4.900
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.770,1.740],
      "number_observations_unique": 1210,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.684
        },
        {
          "type": "Completeness",
          "value": 98.500
        },
        {
          "type": "Redundancy",
          "value": 4.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.731
        }
      ]
    },
    {
      "resolution_limits": [1.800,1.770],
      "number_observations_unique": 1247,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.686
        }
      ]
    },
    {
      "resolution_limits": [1.840,1.800],
      "number_observations_unique": 1238,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.796
        }
      ]
    },
    {
      "resolution_limits": [1.870,1.840],
      "number_observations_unique": 1251,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.840
        }
      ]
    },
    {
      "resolution_limits": [1.920,1.870],
      "number_observations_unique": 1272,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.881
        }
      ]
    },
    {
      "resolution_limits": [1.960,1.920],
      "number_observations_unique": 1209,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.888
        }
      ]
    },
    {
      "resolution_limits": [2.010,1.960],
      "number_observations_unique": 1269,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.919
        }
      ]
    },
    {
      "resolution_limits": [2.060,2.010],
      "number_observations_unique": 1236,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.938
        }
      ]
    },
    {
      "resolution_limits": [2.120,2.060],
      "number_observations_unique": 1260,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.941
        }
      ]
    },
    {
      "resolution_limits": [2.190,2.120],
      "number_observations_unique": 1221,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.953
        }
      ]
    },
    {
      "resolution_limits": [2.270,2.190],
      "number_observations_unique": 1265,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.966
        }
      ]
    },
    {
      "resolution_limits": [2.360,2.270],
      "number_observations_unique": 1250,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.972
        }
      ]
    },
    {
      "resolution_limits": [2.470,2.360],
      "number_observations_unique": 1258,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.977
        }
      ]
    },
    {
      "resolution_limits": [2.600,2.470],
      "number_observations_unique": 1265,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.977
        }
      ]
    },
    {
      "resolution_limits": [2.760,2.600],
      "number_observations_unique": 1253,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.985
        }
      ]
    },
    {
      "resolution_limits": [2.980,2.760],
      "number_observations_unique": 1231,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.985
        }
      ]
    },
    {
      "resolution_limits": [3.270,2.980],
      "number_observations_unique": 1297,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [3.750,3.270],
      "number_observations_unique": 1255,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [4.720,3.750],
      "number_observations_unique": 1265,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [50.000,4.720],
      "number_observations_unique": 1323,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    }
  ]

}
  

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


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