Data quality metrics extracted from 7p52.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": "5560c341d3420e25df59c09ce1b8efb2",
  "space_group_name": "H 3 2",
  "unit_cell": {
    "a": 89.053,
    "b": 89.053,
    "c": 98.059,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.99187],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.5265,1.2000],
    "number_observations_unique": 31673,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.057
      },
      {
        "type": "R(meas)",
        "value": 0.06
      },
      {
        "type": "R(pim)",
        "value": 0.02
      },
      {
        "type": "I/SigI",
        "value": 17.8
      },
      {
        "type": "Completeness",
        "value": 89.8
      },
      {
        "type": "Redundancy",
        "value": 9.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.24,1.20],
      "number_observations_unique": 1585,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.209
        },
        {
          "type": "R(meas)",
          "value": 1.29
        },
        {
          "type": "R(pim)",
          "value": 0.443
        },
        {
          "type": "I/SigI",
          "value": 1.7
        },
        {
          "type": "Completeness",
          "value": 99.6
        },
        {
          "type": "Redundancy",
          "value": 8.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.642
        }
      ]
    }
  ]

}
  

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


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