Data quality metrics extracted from 7jxk.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": "714e704309f3207dab1b0a32c501f8be",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 66.853,
    "b": 87.369,
    "c": 91.313,
    "alpha": 62.06,
    "beta": 85.58,
    "gamma": 73.33
  },
  "wavelengths": [0.97780],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [80.480,3.100],
    "number_observations": 106143,
    "number_observations_unique": 28896,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.183
      },
      {
        "type": "R(pim)",
        "value": 0.094
      },
      {
        "type": "I/SigI",
        "value": 8.000
      },
      {
        "type": "Completeness",
        "value": 91.300
      },
      {
        "type": "Redundancy",
        "value": 3.700
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.150,3.100],
      "number_observations": 4931,
      "number_observations_unique": 1417,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 1.253
        },
        {
          "type": "R(pim)",
          "value": 0.650
        },
        {
          "type": "I/SigI",
          "value": 1.000
        },
        {
          "type": "Completeness",
          "value": 89.900
        },
        {
          "type": "Redundancy",
          "value": 3.500
        }
      ]
    },
    {
      "resolution_limits": [80.510,8.410],
      "number_observations": 5462,
      "number_observations_unique": 1450,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.043
        },
        {
          "type": "R(pim)",
          "value": 0.022
        },
        {
          "type": "I/SigI",
          "value": 30.300
        },
        {
          "type": "Completeness",
          "value": 92.000
        },
        {
          "type": "Redundancy",
          "value": 3.800
        }
      ]
    }
  ]

}
  

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


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