Data quality metrics extracted from 7hl8.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": "f7419c94f0127762c4392a4e8b0547fb",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 82.320,
    "b": 116.014,
    "c": 147.204,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.92124],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [91.16,1.86],
    "number_observations": 811183,
    "number_observations_unique": 59380,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.227
      },
      {
        "type": "R(meas)",
        "value": 0.236
      },
      {
        "type": "R(pim)",
        "value": 0.063
      },
      {
        "type": "I/SigI",
        "value": 6.3
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 13.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.90,1.86],
      "number_observations": 51669,
      "number_observations_unique": 3733,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 5.985
        },
        {
          "type": "R(meas)",
          "value": 6.214
        },
        {
          "type": "R(pim)",
          "value": 1.665
        },
        {
          "type": "I/SigI",
          "value": 0.2
        },
        {
          "type": "Redundancy",
          "value": 13.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.323
        }
      ]
    }
  ]

}
  

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


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