Data quality metrics extracted from 8r58.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": "4d002e4c055310ba3c5c3d5c76ce4224",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 82.309,
    "b": 88.256,
    "c": 39.210,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97630],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [88.256,2.308],
    "number_observations_unique": 7716,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.199
      },
      {
        "type": "R(meas)",
        "value": 0.215
      },
      {
        "type": "R(pim)",
        "value": 0.056
      },
      {
        "type": "I/SigI",
        "value": 9.3
      },
      {
        "type": "Completeness",
        "value": 89.6
      },
      {
        "type": "Redundancy",
        "value": 12.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.496,2.308],
      "number_observations_unique": 387,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.618
        },
        {
          "type": "I/SigI",
          "value": 1.6
        },
        {
          "type": "Completeness",
          "value": 61.8
        },
        {
          "type": "Redundancy",
          "value": 11.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.369
        }
      ]
    },
    {
      "resolution_limits": [2.608,2.496],
      "number_observations_unique": 386,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.318
        },
        {
          "type": "I/SigI",
          "value": 1.857
        },
        {
          "type": "Completeness",
          "value": 75.80
        },
        {
          "type": "Redundancy",
          "value": 12.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.4779
        }
      ]
    },
    {
      "resolution_limits": [2.721,2.608],
      "number_observations_unique": 386,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.971
        },
        {
          "type": "I/SigI",
          "value": 2.307
        },
        {
          "type": "Completeness",
          "value": 75.30
        },
        {
          "type": "Redundancy",
          "value": 12.87
        },
        {
          "type": "CC(1/2)",
          "value": 0.7202
        }
      ]
    },
    {
      "resolution_limits": [2.830,2.721],
      "number_observations_unique": 386,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.972
        },
        {
          "type": "I/SigI",
          "value": 3.132
        },
        {
          "type": "Completeness",
          "value": 77.22
        },
        {
          "type": "Redundancy",
          "value": 12.65
        },
        {
          "type": "CC(1/2)",
          "value": 0.8304
        }
      ]
    },
    {
      "resolution_limits": [2.942,2.830],
      "number_observations_unique": 386,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.932
        },
        {
          "type": "I/SigI",
          "value": 3.373
        },
        {
          "type": "Completeness",
          "value": 77.51
        },
        {
          "type": "Redundancy",
          "value": 12.72
        },
        {
          "type": "CC(1/2)",
          "value": 0.8844
        }
      ]
    },
    {
      "resolution_limits": [3.058,2.942],
      "number_observations_unique": 385,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 3.426
        },
        {
          "type": "Completeness",
          "value": 81.91
        },
        {
          "type": "Redundancy",
          "value": 12.21
        },
        {
          "type": "CC(1/2)",
          "value": 0.9155
        }
      ]
    },
    {
      "resolution_limits": [3.169,3.058],
      "number_observations_unique": 387,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 3.648
        },
        {
          "type": "Completeness",
          "value": 89.15
        },
        {
          "type": "Redundancy",
          "value": 13.34
        },
        {
          "type": "CC(1/2)",
          "value": 0.9226
        }
      ]
    }
  ]

}
  

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


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