Data quality metrics extracted from 7i9b.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "c0b02aad9da5d8d67db95b2f7d1d3a5c",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 67.997,
    "b": 66.035,
    "c": 79.691,
    "alpha": 90.00,
    "beta": 100.81,
    "gamma": 90.00
  },
  "wavelengths": [0.95370],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [56.29,2.77],
    "number_observations": 124445,
    "number_observations_unique": 17891,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.263
      },
      {
        "type": "R(meas)",
        "value": 0.284
      },
      {
        "type": "R(pim)",
        "value": 0.107
      },
      {
        "type": "I/SigI",
        "value": 6.5
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 7.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.990
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.82,2.77],
      "number_observations": 6027,
      "number_observations_unique": 879,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.505
        },
        {
          "type": "R(meas)",
          "value": 2.714
        },
        {
          "type": "R(pim)",
          "value": 1.035
        },
        {
          "type": "I/SigI",
          "value": 0.5
        },
        {
          "type": "Redundancy",
          "value": 6.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.281
        }
      ]
    }
  ]

}
  

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


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