Data quality metrics extracted from 4o01.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": "7dbd78905e1e846b27f92c514eddaf68",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 86.9,
    "b": 195.7,
    "c": 225.0,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.98043],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.22,3.240],
    "number_observations_unique": 61928,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.241
      },
      {
        "type": "I/SigI",
        "value": 9.690
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 19.31
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.320,3.240],
      "number_observations_unique": 4495,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.390
        },
        {
          "type": "I/SigI",
          "value": 0.830
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 20.3
        }
      ]
    },
    {
      "resolution_limits": [3.500,3.320],
      "number_observations_unique": 8131,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.879
        },
        {
          "type": "I/SigI",
          "value": 1.310
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 20.0
        }
      ]
    },
    {
      "resolution_limits": [4.000,3.500],
      "number_observations_unique": 16008,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.177
        },
        {
          "type": "I/SigI",
          "value": 3.240
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 19.1
        }
      ]
    },
    {
      "resolution_limits": [8.000,4.000],
      "number_observations_unique": 28905,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.246
        },
        {
          "type": "I/SigI",
          "value": 14.330
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 19.3
        }
      ]
    },
    {
      "resolution_limits": [15.000,8.000],
      "number_observations_unique": 3681,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.119
        },
        {
          "type": "I/SigI",
          "value": 27.220
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 18.1
        }
      ]
    },
    {
      "resolution_limits": [49.22,15.000],
      "number_observations_unique": 708,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.105
        },
        {
          "type": "I/SigI",
          "value": 27.210
        },
        {
          "type": "Completeness",
          "value": 95.800
        },
        {
          "type": "Redundancy",
          "value": 16.5
        }
      ]
    }
  ]

}
  

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


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