Data quality metrics extracted from 8an8.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": "8f7fd1e45845d338fbaa22f67d6dcf4a",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 42.838,
    "b": 52.181,
    "c": 84.074,
    "alpha": 74.26,
    "beta": 77.64,
    "gamma": 70.55
  },
  "wavelengths": [0.97949],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.030,2.390],
    "number_observations": 42356,
    "number_observations_unique": 24844,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.171
      },
      {
        "type": "R(pim)",
        "value": 0.121
      },
      {
        "type": "I/SigI",
        "value": 3.200
      },
      {
        "type": "Completeness",
        "value": 96.500
      },
      {
        "type": "Redundancy",
        "value": 1.700
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.440,2.390],
      "number_observations": 1730,
      "number_observations_unique": 1112,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 1.050
        },
        {
          "type": "R(pim)",
          "value": 0.743
        },
        {
          "type": "I/SigI",
          "value": 0.800
        },
        {
          "type": "Completeness",
          "value": 89.700
        },
        {
          "type": "Redundancy",
          "value": 1.600
        }
      ]
    },
    {
      "resolution_limits": [48.040,6.490],
      "number_observations": 2202,
      "number_observations_unique": 1264,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.050
        },
        {
          "type": "R(pim)",
          "value": 0.036
        },
        {
          "type": "I/SigI",
          "value": 6.900
        },
        {
          "type": "Completeness",
          "value": 98.100
        },
        {
          "type": "Redundancy",
          "value": 1.700
        }
      ]
    }
  ]

}
  

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


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