Data quality metrics extracted from 9esl.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": "61636ec4f06564a3c7458099623110c3",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 74.132,
    "b": 134.211,
    "c": 147.853,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.89842],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [134.21,2.38],
    "number_observations_unique": 58464,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.12
      },
      {
        "type": "R(meas)",
        "value": 0.129
      },
      {
        "type": "R(pim)",
        "value": 0.048
      },
      {
        "type": "I/SigI",
        "value": 13.2
      },
      {
        "type": "Completeness",
        "value": 97.5
      },
      {
        "type": "Redundancy",
        "value": 13.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [134.21,10.37],
      "number_observations_unique": 841,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.029
        },
        {
          "type": "R(meas)",
          "value": 0.031
        },
        {
          "type": "R(pim)",
          "value": 0.011
        },
        {
          "type": "I/SigI",
          "value": 49.4
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 12
        },
        {
          "type": "CC(1/2)",
          "value": 1
        }
      ]
    },
    {
      "resolution_limits": [2.45,2.38],
      "number_observations_unique": 4578,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.351
        },
        {
          "type": "R(meas)",
          "value": 1.461
        },
        {
          "type": "R(pim)",
          "value": 0.551
        },
        {
          "type": "I/SigI",
          "value": 1.7
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 13.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.759
        }
      ]
    }
  ]

}
  

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


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