Data quality metrics extracted from 8i01.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": "0829ee40341769497b72b8a35520e9e6",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 189.617,
    "b": 189.617,
    "c": 248.631,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97940],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,2.15],
    "number_observations": 5204950,
    "number_observations_unique": 243437,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.992
      },
      {
        "type": "I/SigI",
        "value": 2.5
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 11.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.19,2.15],
      "number_observations_unique": 23522,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.581
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 9.7
        }
      ]
    },
    {
      "resolution_limits": [2.23,2.19],
      "number_observations_unique": 23486,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.450
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 9.8
        }
      ]
    },
    {
      "resolution_limits": [2.27,2.23],
      "number_observations_unique": 23559,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.261
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 9.7
        }
      ]
    },
    {
      "resolution_limits": [2.32,2.27],
      "number_observations_unique": 23589,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.160
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 9.8
        }
      ]
    },
    {
      "resolution_limits": [2.37,2.32],
      "number_observations_unique": 23463,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.077
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 9.8
        }
      ]
    },
    {
      "resolution_limits": [2.42,2.37],
      "number_observations_unique": 23566,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.949
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 9.7
        }
      ]
    },
    {
      "resolution_limits": [2.48,2.42],
      "number_observations_unique": 23481,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.824
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 9.3
        }
      ]
    },
    {
      "resolution_limits": [2.55,2.48],
      "number_observations_unique": 23459,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.700
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 9.8
        }
      ]
    },
    {
      "resolution_limits": [2.62,2.55],
      "number_observations_unique": 23546,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.642
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 10.8
        }
      ]
    },
    {
      "resolution_limits": [2.71,2.62],
      "number_observations_unique": 23538,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.582
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 11.0
        }
      ]
    },
    {
      "resolution_limits": [2.81,2.71],
      "number_observations_unique": 23492,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.508
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 11.1
        }
      ]
    },
    {
      "resolution_limits": [2.92,2.81],
      "number_observations_unique": 23565,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.432
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 11.4
        }
      ]
    },
    {
      "resolution_limits": [3.05,2.92],
      "number_observations_unique": 23518,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.363
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 11.5
        }
      ]
    },
    {
      "resolution_limits": [3.21,3.05],
      "number_observations_unique": 23514,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.305
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 11.0
        }
      ]
    },
    {
      "resolution_limits": [3.41,3.21],
      "number_observations_unique": 23499,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.253
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 11.8
        }
      ]
    },
    {
      "resolution_limits": [3.68,3.41],
      "number_observations_unique": 23536,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.213
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 12.9
        }
      ]
    },
    {
      "resolution_limits": [4.05,3.68],
      "number_observations_unique": 23508,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.184
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 12.9
        }
      ]
    },
    {
      "resolution_limits": [4.63,4.05],
      "number_observations_unique": 23572,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.153
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 12.6
        }
      ]
    },
    {
      "resolution_limits": [5.83,4.63],
      "number_observations_unique": 23482,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.135
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 13.2
        }
      ]
    },
    {
      "resolution_limits": [50.00,5.83],
      "number_observations_unique": 23581,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.093
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 13.6
        }
      ]
    }
  ]

}
  

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


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