Data quality metrics extracted from 7zxb.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": "97356e4762d18f4b267d8dd7ba2a0be5",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 111.803,
    "b": 111.803,
    "c": 35.115,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35.36,3.0],
    "number_observations_unique": 4804,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1612
      },
      {
        "type": "R(meas)",
        "value": 0.1665
      },
      {
        "type": "R(pim)",
        "value": 0.04082
      },
      {
        "type": "I/SigI",
        "value": 17.29
      },
      {
        "type": "Completeness",
        "value": 99.61
      },
      {
        "type": "Redundancy",
        "value": 16.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.107,3.0],
      "number_observations_unique": 465,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.256
        },
        {
          "type": "R(meas)",
          "value": 1.294
        },
        {
          "type": "R(pim)",
          "value": 0.3076
        },
        {
          "type": "I/SigI",
          "value": 2.59
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 17.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.806
        }
      ]
    }
  ]

}
  

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


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