Data quality metrics extracted from 9ess.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": "8744217bb85e384a509d494c65f40e6d",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 74.237,
    "b": 133.439,
    "c": 147.625,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.89842],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [133.44,2.41],
    "number_observations_unique": 54267,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.216
      },
      {
        "type": "R(meas)",
        "value": 0.233
      },
      {
        "type": "R(pim)",
        "value": 0.087
      },
      {
        "type": "I/SigI",
        "value": 9.2
      },
      {
        "type": "Completeness",
        "value": 94.4
      },
      {
        "type": "Redundancy",
        "value": 13.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [133.44,10.22],
      "number_observations_unique": 875,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.04
        },
        {
          "type": "R(meas)",
          "value": 0.043
        },
        {
          "type": "R(pim)",
          "value": 0.016
        },
        {
          "type": "I/SigI",
          "value": 37.5
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 12
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [2.48,2.41],
      "number_observations_unique": 4644,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.735
        },
        {
          "type": "R(meas)",
          "value": 2.951
        },
        {
          "type": "R(pim)",
          "value": 1.105
        },
        {
          "type": "I/SigI",
          "value": 1
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 13.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.411
        }
      ]
    }
  ]

}
  

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


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