Data quality metrics extracted from 7z4s.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": "65ab28b07978e4c636d27db22d69b170",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 54.515,
    "b": 56.112,
    "c": 63.238,
    "alpha": 113.87,
    "beta": 110.53,
    "gamma": 90.92
  },
  "wavelengths": [0.97620],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [53.23,1.70],
    "number_observations_unique": 407784,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.129
      },
      {
        "type": "R(pim)",
        "value": 0.058
      },
      {
        "type": "I/SigI",
        "value": 6.6
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 5.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [53.23,8.99],
      "number_observations_unique": 2867,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.027
        },
        {
          "type": "R(meas)",
          "value": 0.030
        },
        {
          "type": "R(pim)",
          "value": 0.012
        },
        {
          "type": "I/SigI",
          "value": 29
        },
        {
          "type": "Completeness",
          "value": 99.6
        },
        {
          "type": "Redundancy",
          "value": 6.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [1.73,1.70],
      "number_observations_unique": 19306,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.454
        },
        {
          "type": "R(meas)",
          "value": 3.059
        },
        {
          "type": "I/SigI",
          "value": 0.6
        },
        {
          "type": "Completeness",
          "value": 99.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.298
        }
      ]
    }
  ]

}
  

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


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