Data quality metrics extracted from 7hr0.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": "d01da94b56fac2e41428dd34d041cc1c",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 99.471,
    "b": 99.489,
    "c": 128.749,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.92124],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.75,1.49],
    "number_observations": 1325840,
    "number_observations_unique": 103936,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.154
      },
      {
        "type": "R(meas)",
        "value": 0.160
      },
      {
        "type": "R(pim)",
        "value": 0.044
      },
      {
        "type": "I/SigI",
        "value": 10.1
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 12.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.52,1.49],
      "number_observations": 46467,
      "number_observations_unique": 5021,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.325
        },
        {
          "type": "R(meas)",
          "value": 3.522
        },
        {
          "type": "R(pim)",
          "value": 1.151
        },
        {
          "type": "I/SigI",
          "value": 0.4
        },
        {
          "type": "Redundancy",
          "value": 9.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.327
        }
      ]
    }
  ]

}
  

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


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