Data quality metrics extracted from 7hrl.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": "decb90bd2e83532f04b56d70c9aabf34",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 99.113,
    "b": 99.102,
    "c": 128.478,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.92124],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [78.47,1.91],
    "number_observations": 678879,
    "number_observations_unique": 49202,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.269
      },
      {
        "type": "R(meas)",
        "value": 0.280
      },
      {
        "type": "R(pim)",
        "value": 0.075
      },
      {
        "type": "I/SigI",
        "value": 9.2
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 13.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.96,1.91],
      "number_observations": 46697,
      "number_observations_unique": 3246,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.710
        },
        {
          "type": "R(meas)",
          "value": 4.880
        },
        {
          "type": "R(pim)",
          "value": 1.273
        },
        {
          "type": "I/SigI",
          "value": 0.7
        },
        {
          "type": "Redundancy",
          "value": 14.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.337
        }
      ]
    }
  ]

}
  

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


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