Data quality metrics extracted from 7b8i.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": "838bbe52385bf2412b7803e803bb4669",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 128.401,
    "b": 128.401,
    "c": 124.154,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97795],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.40,2.55],
    "number_observations_unique": 33919,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08534
      },
      {
        "type": "R(meas)",
        "value": 0.09263
      },
      {
        "type": "R(pim)",
        "value": 0.03554
      },
      {
        "type": "I/SigI",
        "value": 16.16
      },
      {
        "type": "Completeness",
        "value": 98.43
      },
      {
        "type": "Redundancy",
        "value": 6.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.642,2.55],
      "number_observations_unique": 3259,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.7234
        },
        {
          "type": "R(meas)",
          "value": 0.7877
        },
        {
          "type": "R(pim)",
          "value": 0.3073
        },
        {
          "type": "I/SigI",
          "value": 2.57
        },
        {
          "type": "Completeness",
          "value": 96.19
        },
        {
          "type": "Redundancy",
          "value": 6.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.802
        }
      ]
    }
  ]

}
  

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


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