Data quality metrics extracted from 4m8u.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": "acab11e1342e3e11162939cdd2313634",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 48.65,
    "b": 100.33,
    "c": 61.36,
    "alpha": 90.00,
    "beta": 112.59,
    "gamma": 90.00
  },
  "wavelengths": [0.95360],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [56.639,1.450],
    "number_observations_unique": 95401,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.082
      },
      {
        "type": "I/SigI",
        "value": 21.700
      },
      {
        "type": "Completeness",
        "value": 99.400
      },
      {
        "type": "Redundancy",
        "value": 14.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.470,1.450],
      "number_observations": 62646,
      "number_observations_unique": 4660,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.631
        },
        {
          "type": "I/SigI",
          "value": 4.800
        },
        {
          "type": "Completeness",
          "value": 97.300
        },
        {
          "type": "Redundancy",
          "value": 13.400
        }
      ]
    },
    {
      "resolution_limits": [18.920,7.940],
      "number_observations": 7138,
      "number_observations_unique": 560,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.050
        },
        {
          "type": "I/SigI",
          "value": 48.300
        },
        {
          "type": "Completeness",
          "value": 92.400
        },
        {
          "type": "Redundancy",
          "value": 12.700
        }
      ]
    }
  ]

}
  

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


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