Data quality metrics extracted from 9esr.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": "dfe1bd94e4d754fc6e70a0b4f696a158",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 74.222,
    "b": 133.812,
    "c": 147.855,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.89842],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [147.85,2.38],
    "number_observations_unique": 56297,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.244
      },
      {
        "type": "R(meas)",
        "value": 0.263
      },
      {
        "type": "I/SigI",
        "value": 8.1
      },
      {
        "type": "Completeness",
        "value": 94
      },
      {
        "type": "Redundancy",
        "value": 13.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [147.85,10.1],
      "number_observations_unique": 911,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
        },
        {
          "type": "R(meas)",
          "value": 0.039
        },
        {
          "type": "R(pim)",
          "value": 0.014
        },
        {
          "type": "I/SigI",
          "value": 41.4
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 12.1
        },
        {
          "type": "CC(1/2)",
          "value": 1
        }
      ]
    },
    {
      "resolution_limits": [2.45,2.38],
      "number_observations_unique": 4807,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.259
        },
        {
          "type": "R(meas)",
          "value": 4.602
        },
        {
          "type": "R(pim)",
          "value": 1.735
        },
        {
          "type": "I/SigI",
          "value": 0.6
        },
        {
          "type": "Completeness",
          "value": 99.7
        },
        {
          "type": "Redundancy",
          "value": 13.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.187
        }
      ]
    }
  ]

}
  

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


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