Data quality metrics extracted from 7h2z.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": "1fb46e4bf39814f96a077d0c0190c7fd",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 86.048,
    "b": 56.476,
    "c": 32.459,
    "alpha": 90.00,
    "beta": 95.51,
    "gamma": 90.00
  },
  "wavelengths": [0.94056],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.16,1.04],
    "number_observations": 414429,
    "number_observations_unique": 60035,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.074
      },
      {
        "type": "R(meas)",
        "value": 0.080
      },
      {
        "type": "R(pim)",
        "value": 0.030
      },
      {
        "type": "I/SigI",
        "value": 16.4
      },
      {
        "type": "Completeness",
        "value": 81.2
      },
      {
        "type": "Redundancy",
        "value": 6.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.06,1.04],
      "number_observations": 4447,
      "number_observations_unique": 939,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.372
        },
        {
          "type": "R(meas)",
          "value": 2.653
        },
        {
          "type": "R(pim)",
          "value": 1.163
        },
        {
          "type": "I/SigI",
          "value": 0.6
        },
        {
          "type": "Redundancy",
          "value": 4.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.236
        }
      ]
    }
  ]

}
  

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


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