Data quality metrics extracted from 5d92.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": "2ae369e79cc8156b227d99874f9f839e",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 89.002,
    "b": 62.489,
    "c": 169.759,
    "alpha": 90.00,
    "beta": 99.77,
    "gamma": 90.00
  },
  "wavelengths": [0.97910],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [166.970,3.620],
    "number_observations": 78622,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.252
      },
      {
        "type": "R(pim)",
        "value": 0.150
      },
      {
        "type": "I/SigI",
        "value": 5.000
      },
      {
        "type": "Completeness",
        "value": 98.900
      },
      {
        "type": "Redundancy",
        "value": 3.700
      },
      {
        "type": "CC(1/2)",
        "value": 0.991
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.970,3.620],
      "number_observations": 18367,
      "number_observations_unique": 4878,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.930
        },
        {
          "type": "R(pim)",
          "value": 0.552
        },
        {
          "type": "I/SigI",
          "value": 1.400
        },
        {
          "type": "Completeness",
          "value": 97.900
        },
        {
          "type": "Redundancy",
          "value": 3.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.616
        }
      ]
    },
    {
      "resolution_limits": [166.970,8.870],
      "number_observations": 5447,
      "number_observations_unique": 1503,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
        },
        {
          "type": "R(pim)",
          "value": 0.026
        },
        {
          "type": "I/SigI",
          "value": 19.300
        },
        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "Redundancy",
          "value": 3.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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