Data quality metrics extracted from 7z1s.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": "6f2dceef37c0c62d4a27e09d3e4a1bff",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 86.674,
    "b": 86.674,
    "c": 55.896,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97926],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.83,1.65],
    "number_observations_unique": 29543,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04638
      },
      {
        "type": "R(meas)",
        "value": 0.04808
      },
      {
        "type": "R(pim)",
        "value": 0.01248
      },
      {
        "type": "I/SigI",
        "value": 27.19
      },
      {
        "type": "Completeness",
        "value": 99.60
      },
      {
        "type": "Redundancy",
        "value": 14.0
      },
      {
        "type": "CC(1/2)",
        "value": 1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.709,1.65],
      "number_observations_unique": 2883,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.333
        },
        {
          "type": "R(meas)",
          "value": 3.461
        },
        {
          "type": "R(pim)",
          "value": 0.9231
        },
        {
          "type": "I/SigI",
          "value": 0.68
        },
        {
          "type": "Completeness",
          "value": 96.92
        },
        {
          "type": "Redundancy",
          "value": 13.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.515
        }
      ]
    }
  ]

}
  

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


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