Data quality metrics extracted from 7n8c.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": "795f4e09e8ae5568a4d0f38d430a0a65",
  "space_group_name": "I 1 2 1",
  "unit_cell": {
    "a": 55.314,
    "b": 81.301,
    "c": 88.578,
    "alpha": 90.00,
    "beta": 96.46,
    "gamma": 90.00
  },
  "wavelengths": [1.54000,2.00000,4.16000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [59.72,2.20],
    "number_observations_unique": 19108,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.107
      },
      {
        "type": "R(pim)",
        "value": 0.055
      },
      {
        "type": "I/SigI",
        "value": 11.4
      },
      {
        "type": "Completeness",
        "value": 96.3
      },
      {
        "type": "Redundancy",
        "value": 4.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.992
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.27,2.2],
      "number_observations_unique": 1884,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.602
        },
        {
          "type": "I/SigI",
          "value": 1.6
        },
        {
          "type": "Completeness",
          "value": 94.7
        },
        {
          "type": "Redundancy",
          "value": 4.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.686
        }
      ]
    },
    {
      "resolution_limits": [2.59,2.50],
      "number_observations_unique": 1176,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.283
        },
        {
          "type": "I/SigI",
          "value": 5.8
        },
        {
          "type": "Completeness",
          "value": 88.4
        },
        {
          "type": "Redundancy",
          "value": 5.6
        }
      ]
    }
  ]

}
  

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


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